L-Aspartic Acid

HCID 5960CAS 25608-40-6

Basic information

Standard SMILES
N[C@@H](CC(=O)O)C(=O)O
InChIKey
CKLJMWTZIZZHCS-REOHCLBHSA-N
Molecular formula
C4H7NO4
Average molar mass
133.1 g/mol
Monoisotopic mass
133.0375077

Overview

L-aspartic acid is the L-enantiomer of aspartic acid. It has a role as a neurotransmitter, a mouse metabolite and an Escherichia coli metabolite. It is a L-alpha-amino acid, an aspartate family amino acid, an aspartic acid and a proteinogenic amino acid. It is a conjugate acid of a L-aspartate(1-). It is an enantiomer of a D-aspartic acid.

Names & identifiers

Preferred name
L-Aspartic Acid
IUPAC
(2S)-2-aminobutanedioic acid
English name
POLY-L-ASPARTIC ACID SODIUM SALT
Molecular formula
C4H6NNaO4
Molecular weight
155.08451

Names & synonyms

L-aspartic acidaspartic acid56-84-8(2S)-2-aminobutanedioic acidAsparagic acidL-Aminosuccinic acid(S)-2-Aminosuccinic acidAsparaginic acidL-Asparaginic acidL-Asparagic acid(S)-Aspartic acidAspartic acid, L-
Show more names
Sodium poly-L-aspartatePOLY-L-ASPARTIC ACID SODIUM SALTPOLY-D-ASPARTIC ACID, SODIUM SALTl-aspartic acid homopolymer sodiumPoly-L-Asp acid sodium salt MW=27KDaPoly-L-Asp acid sodium salt MW=1.4KDaPoly-L-Asp acid sodium salt MW=4.1KDaPoly-L-Asp acid sodium salt MW=6.8KDaL-Aspartic acid homopolymer sodium saltPOLY-L-ASPARTIC ACID SODIUM SALT,34345-47-6
(S)-Aminobutanedioic acidL-AsparaginsaeureAcidum asparticumL-(+)-Aspartic acidAsparaginsaeureAcido aspartico2-aminosuccinic acidAcide aspartique

Database identifiers

CAS
25608-40-6、34345-47-6、56-84-8、617-45-8、6899-03-2
PubChem CID
5960
DTXSID
DTXSID7022621
ChEMBL
CHEMBL274323
ChEBI
CHEBI:17053
UNII
30KYC7MIAI
EC Number
200-291-6、614-886-7、642-993-9
Nikkaji
J9.169C

Properties

Computed structural properties

XLogP
-2.8
Topological polar surface area
101 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
5
Rotatable bonds
3
Heavy atoms
9

Experimental & physicochemical properties

Chemical ClassesBiological Agents -> Amino Acids and Derivatives
Cosmetics · 2 items

Cosmetic ingredients (Aspartic Acid) -> CIR (Cosmetic Ingredient Review)

Antistatic

LogP · 3 items

log Kow = -3.89

-3.89

-3.89

Taste · 2 items

Acidic/neutral

Sour

Food AdditivesFLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT, NUTRIENT SUPPLEMENT -> FDA Substance added to food
Density · 2 items

1.6603 at 13 °C

1.7 g/cm³

Physicochemical properties

storage temp.
20 °C · −20°C
EPA Substance Registry System
L-Aspartic acid, homopolymer, sodium salt (34345-47-6)
WGK Germany
3 · 3
TSCA
TSCA listed

Safety & regulation

GHS classification

GHS Classification · 4 items

This chemical does not meet GHS hazard criteria for 94.4% (340 of 360) of all reports.

Not Classified

Aggregated GHS information provided per 360 reports by companies from 4 notifications to the ECHA C&L Inventory.

Not Classified

Hazard information

Regulatory Information · 6 items

Chemical: L-Aspartic acid

Regulation (EC) No 1831/2003 (amended)

L-Aspartic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of L-Aspartic acid are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 26-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/14876

L-Aspartic acid: Does not have an individual approval but may be used under an appropriate group standard

Aspartic acid: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Other Safety InformationIMAP assessments - L-Aspartic acid: Environment tier I assessment
Fire HazardsCombustible. Finely dispersed particles form explosive mixtures in air.
Hazards Summary · 1 item

Causes no skin and mild eye irritation in rabbits (classified by the EC as not irritating); Not a skin sensitizer in guinea pigs; [IUCLID] An eye and respiratory tract irritant; [ICSC] Safe when used as a flavoring agent in food; [JECFA] An irritant that may cause severe eye irritation; [Sigma-Aldrich MSDS]

FDA Requirements · 1 item

L-Aspartic acid is a food additive permitted for direct addition to food for human consumption, as long as 1) the quantity of the substance added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) any substance intended for use in or on food is of appropriate food grade and is prepared and handled as a food ingredient.

Chemical DangersDecomposes on burning. This produces toxic gases including nitrogen oxides. Reacts violently with oxidants.

Safety & protection

Fire FightingIn case of fire in the surroundings, use appropriate extinguishing media.
First Aid Measures · 4 items

Fresh air, rest. Refer for medical attention.

Remove contaminated clothes. Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting. Give one or two glasses of water to drink.

Safe StorageSeparated from strong oxidants.
Disposal Methods · 1 item

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Spillage Disposal · 1 item

Sweep spilled substance into covered containers. If appropriate, moisten first to prevent dusting. Wash away remainder with plenty of water. Personal protection: particulate filter respirator adapted to the airborne concentration of the substance.

Eye PreventionWear safety spectacles.

Toxicology

Interactions · 3 items

ASPARTIC ACID PREVENTED TO SOME EXTENT THE APPEARANCE OF SYMPTOMS OF PHYSICAL MORPHINE DEPENDENCE IN BALB/C MICE.

The effects of amino acids on the embryotoxicity and placental transfer of nickel chloride, day 10 rat embryos were cultured in rat serum medium containing nickel chloride or NiCl2-63 (0.34 or 0.68 uM NiCl with or without L-histidine (2 uM), L-aspartic acid, glycine (2 or 8 uM) or L-cysteine (2 uM). After 26 hr, conceptuses were assessed for survival, growth and development and malformations. The nickel-63 contents of embryos and yolk sacs and the extent of Nickel-63 binding to the proteins of the culture medium were also determined. Nickel chloride alone did not affect the embryonic development at 0.34 uM and caused growth retardation and brain and caudal abnormalities at 0.68 uM. Coincubation of L-histidine, L-cysteine, or L-aspartic acid 0.68 uM Ni reduced the growth retardation and the incidence and/or severity of brain defects caused by nickel chloride and decreased the concentrations of nickel-63 in the yolk sacs compared to 0.68 uM nickel-63 alone. In the presence of L-histidine, L-cysteine or L-aspartic acid there was a shift of nickel-63 binding from the high molecular weight proteins of the culture medium to the low molecular weight fraction.

The effect of oral D-aspartic acid and/or L-aspartic acid (aspartic acid) on the body weight of rats was studied. Rats given the D- or D- plus L-isomers showed a greater decrease in weight and in protein, triglyceride and glycogen than did rats given the L-isomer alone. The results were discussed with reference to amino acid antagonism of opioids.

Environmental Fate · 3 items

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 39(SRC), determined from a water solubility of 5,360 mg/L at 25 °C(2) and a regression-derived equation(3), indicates that L-aspartic acid is expected to have very high mobility in soil(SRC). L-Aspartic acid has pKa values of 1.92, 3.87, and 9.87 at 25 °C(4) indicating that L-aspartic acid will exist as a zwitterion in the environment. Volatilization of L-aspartic acid from moist soil surfaces is not expected to be an important fate process(SRC) since ionic compounds do not volatilize. L-Aspartic acid is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 2.6X10-7 mm Hg at 25 °C(SRC), determined from a fragment constant method(5). Based on results from several screening tests, L-aspartic acid is expected to readily biodegrade under both aerobic (6-10) and anaerobic(11) conditions(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 39(SRC), determined from a water solubility of 5,360 mg/L at 25 °C(2) and a regression-derived equation(3), indicates that L-aspartic acid is not expected to adsorb to suspended solids and sediment(SRC). Measured pKa values of 1.92, 3.87, and 9.87 at 25 °C(4) indicate that L-aspartic acid will exist as a zwitterion in the environment. Volatilization from water surfaces is not expected because ionic compounds do not volatilize. According to a classification scheme(5), an estimated BCF of 0.7(SRC), from its water solubility(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). The biodegradation of L-aspartic acid is expected to occur readily based on results from both screening and grab sample tests. Relative rates of total utilization of 2.7, 1.5, and 0.10%/hr were measured over a 4-hour period in three samples of seawater(6). In aerobic screening tests, 38.7 to 80.5% BODT was reached in 5 days using a sewage inoculum(7-9) while in an anaerobic screening test, 79% biodegradation was reported in 35 days(10).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), L-aspartic acid, which has an estimated vapor pressure of 2.6X10-7 mm Hg at 25 °C(SRC), determined from a fragment constant method(2), is expected to exist in both the vapor and particulate phases in the ambient atmosphere. Vapor-phase L-aspartic acid is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 10 hours(SRC), calculated from its rate constant of 4.0x10-11 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). Particulate-phase L-aspartic acid may be removed from the air by wet or dry deposition(SRC). L-Aspartic acid does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(4).

Exposure RoutesThe substance can be absorbed into the body by ingestion.
Toxicity SummarySafe in the present practices of use and concentration. Ingredient, concentration, and use information are available in documents discoverable at https://cir-reports.cir-safety.org
Signs and Symptoms · 3 items

Cough. Sore throat.

Redness. Pain.

Burning sensation in the throat and chest.

Soil Adsorption/Mobility · 1 item

The Koc of L-aspartic acid is estimated as 39(SRC), using a water solubility of 5,360 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that L-aspartic acid is expected to have very high mobility in soil. However, L-aspartic acid has pKa values of 1.92, 3.87, and 9.87(5), indicating that this compound will exist as a zwitterion in the environment. In H(Al) montmorillonite, aspartic acid showed an L-2 type adsorption isotherm with an initial preferential sorption when compared with the solvent or other solutes followed by a decrease in sorption as more solute was sorbed(4).

Regulatory information

FDA Requirements · 1 item

L-Aspartic acid is a food additive permitted for direct addition to food for human consumption, as long as 1) the quantity of the substance added to food does not exceed the amount reasonably required to accomplish its intended physical, nutritive, or other technical effect in food, and 2) any substance intended for use in or on food is of appropriate food grade and is prepared and handled as a food ingredient.

Safety data

wgk
3
tsca
TSCA listed

Chemistry & industry

Pharmacology

Pharmacodynamics · 1 item

L-aspartate is considered a non-essential amino acid, meaning that, under normal physiological conditions, sufficient amounts of the amino acid are synthesized in the body to meet the body's requirements. L-aspartate is formed by the transamination of the Krebs cycle intermediate oxaloacetate. The amino acid serves as a precursor for synthesis of proteins, oligopeptides, purines, pyrimidines, nucleic acids and L-arginine. L-aspartate is a glycogenic amino acid, and it can also promote energy production via its metabolism in the Krebs cycle. These latter activities were the rationale for the claim that supplemental aspartate has an anti-fatigue effect on skeletal muscle, a claim that was never confirmed.

Mechanism of Action · 1 item

There are also claims that L-aspartate has ergogenic effects, that it enhances performance in both prolonged exercise and short intensive exercise. It is hypothesized that L-aspartate, especially the potassium magnesium aspartate salt, spares stores of muscle glycogen and/or promotes a faster rate of glycogen resynthesis during exercise. It has also been hypothesized that L-aspartate can enhance short intensive exercise by serving as a substrate for energy production in the Krebs cycle and for stimulating the purine nucleotide cycle.

Metabolism/Metabolites · 4 items

FOR L-ASPARTIC ACID, OXALOACETIC ACID IS PRODUCT OF OXIDATIVE DEAMINATION OR TRANSAMINATION; ALPHA-ALANINE IS PRODUCT OF DECARBOXYLATION. /FROM TABLE/

METABOLIC PATHWAYS & PRODUCTS /IN ANIMAL BODY/: ASPARTIC ACID + CARBAMYLPHOSPHATE /PRODUCE/ PHOSPHORUS + CARBAMYLASPARTIC ACID GIVE PYRIMIDINES; ASPARTIC ACID /PRODUCES/ FUMARIC ACID + NH3; ASPARTIC ACID /PRODUCES/ ASPARTIC SEMIALDEHYDE /PRODUCES/ HOMOSERINE /PRODUCES/ (I) THREONINE, (II) METHIONINE, OR (III) LYSINE... /FROM TABLE/

METABOLIC PATHWAYS & PRODUCTS /IN ANIMAL BODY/: ASPARTIC ACID GIVES NITROGEN OF PURINE RING...ASPARTIC ACID + IMP GIVE ADENYLOSUCCINATE GIVES AMP + FUMARATE... /FROM TABLE/

Following ingestion, L-aspartate is absorbed from the small intestine by an active transport process. Following absorption, L-aspartate enters the portal circulation and from there is transported to the liver, where much of it is metabolized to protein, purines, pyrimidines and L-arginine, and is catabolized as well. D-aspartate is not metabolized in the liver; it enters the systemic circulation, which distributes it to various tissues of the body. The cations associated with L-aspartate independently interact with various substances in the body and participate in various physiological processes. /L-aspartate; D-aspartate/

Absorption, Distribution and Excretion · 6 items

Absorbed from the small intestine by an active transport process

ASPARTIC ACID PLASMA CONCN WAS ELEVATED 30 MIN AFTER 1 G/KG L-ASPARTATE (ORAL OR IP) TO 15 DAY OLD & ADULT MICE. THEREAFTER, CONCN DECLINED EXPONENTIALLY WITH T/2 OF 0.2 HR IN BOTH. PLASMA CONCN NOT APPRECIABLY ALTERED BY 10 & 100 MG/KG L-ASPARTATE ORAL OR IP ADMIN.

Following ingestion, L-aspartate is absorbed from the small intestine by an active transport process. Following absorption, L-aspartate enters the portal circulation and from there is transported to the liver, where much of it is metabolized to protein, purines, pyrimidines and L-arginine, and is catabolized as well. L-aspartate is not metabolized in the liver; it enters the systemic circulation, which distributes it to various tissues of the body. The cations associated with L-aspartate independently interact with various substances in the body and participate in various physiological processes. /L-aspartate/

... Contents of D- and L-aspartic acids in rats at different stages of growth (from 1 day before birth to 90 days after birth) were determined. D-Aspartic acid was detected in all the brain tissue samples tested, but at different levels. In the cerebrum of rats 1 day before birth, D-aspartic acid was found to be at the highest concentration of 81 nmol/g wet tissue. The level of D-aspartic acid in rat brain falls rapidly after birth, while the L-aspartic acid level increases with age.

Enzymatic synthesis of 11C-(4)-L-aspartic acid was undertaken using commercially available wheat germ phosphoenolpyruvate carboxylase. Whole-body distribution of the radioactive compound in rats showed higher accumulation in the salivary gland, glandular stomach and the pancreas, as well as in the lungs. Within 60 minutes after intravenous injection of 11C-(4)-L-aspartic acid, about 60% is removed as 11CO2 by expiration, indicating that the carbon atom at the fourth position of the radioactive compound is easily subjected to decarboxylation.

The brain efflux index method has been used to clarify the mechanism of efflux transport of acidic amino acids such as L-aspartic acid (L-Asp), L-glutamic acid (L-Glu), and D-aspartic acid (D-Asp) across the blood-brain barrier (BBB). About 85% of L-[3H]Asp and 40% of L-(3H)Glu was eliminated from the ipsilateral cerebrum within, respectively, 10 and 20 min of microinjection into the brain. The efflux rate constant of L-(3H)Asp and L-(3H)Glu was 0.207 and 0.0346 min(-1), respectively. However, D-(3H)Asp was not eliminated from brain over a 20-min period. The efflux of L-(3H)Asp and L-(3H)Glu was inhibited in the presence of excess unlabeled L-Asp and L-Glu, whereas D-Asp did not inhibit either form of efflux transport. Aspartic acid efflux across the BBB appears to be stereospecific. Using a combination of TLC and the bioimaging analysis, attempts were made to detect the metabolites of L-(3H)Asp and L-(3H)Glu in the ipsilateral cerebrum and jugular vein plasma following a microinjection into parietal cortex, area 2. Significant amounts of intact L-(3H)Asp and L-(3H)Glu were found in all samples examined, including jugular vein plasma, providing direct evidence that at least a part of the L-Asp and L-Glu in the brain interstitial fluid is transported across the BBB in the intact form. To compare the transport of acidic amino acids using brain parenchymal cells, brain slice uptake studies were performed. Although the slice-to-medium ratio of D-(3H)Asp was the highest, followed by L-[3H]Glu and L-[3H]Asp, the initial uptake rate did not differ for both L-(3H)Asp and D-(3H)Asp, suggesting that the uptake of aspartic acid in brain parenchymal cells is not stereospecific. These results provide evidence that the BBB may act as an efflux pump for L-Asp and L-Glu to reduce the brain interstitial fluid concentration and act as a static wall for D-Asp.

Tissue LocationsAll Tissues
Cellular LocationsCytoplasm

Uses & manufacturing

Uses · 6 items

CIR ingredient: Aspartic Acid

A non-essential amino acid; [Merck Index] [REPROTOX] Used in biological and clinical studies, to make culture media, and in aspartame products (detergents, fungicides, germicides, and metal complexations); [HSDB] Used in chemical synthesis, cosmetics, food additives, and pharmaceuticals; [IUCLID] Used as a flavoring agent and nutritional supplement; [FDA]

BIOLOGICAL & CLINICAL STUDIES; PREPN OF CULTURE MEDIA; ORG INTERMEDIATE; INGREDIENT OF ASPARTAME; DETERGENTS; FUNGICIDES; GERMICIDES; METAL COMPLEXATION /ASPARTIC ACID/

Used in flavor reaction products and pharmaceuticals formulations and intermediates

Roborant

Used as a raw material in the synthesis of peptide drugs

U.S. Production · 5 items

2023: 50,000 - <75,000 lb

This chemical is listed as a High Production Volume (HPV) (65FR81686). Chemicals listed as HPV were produced in or imported into the U.S. in >1 million pounds in 1990 and/or 1994. The HPV list is based on the 1990 Inventory Update Rule. (IUR) (40 CFR part 710 subpart B; 51FR21438).

(1992) No data

World market for L-aspartic acid in 1982: 450 tonnes; in 1984: 250 tonnes

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#3169]

Industry UsesNot Known or Reasonably Ascertainable
Methods of Manufacturing · 3 items

Hydrolysis of asparagine, reaction of ammonia with diethyl fumarate

L-Aspartic acid is industrially manufactured by an enzymatic process in which aspartase (l-aspartate ammonia lyase, EC 4.3.1.1) catalyzes the addition of ammonia to fumaric acid. Advantages of the enzymatic production method are higher product concentration and productivity and the formation of fewer byproducts. Thus, l-aspartic acid can be easily separated from the reaction mixture by crystallization.

In 1973, an immobilized cell system based on Escherichia coli cells entrapped in polyacrylamide gel lattice was introduced for large-scale production.

Formulations/Preparations · 4 items

(VET) COMMERCIALLY AVAILABLE AS MIXT OF POTASSIUM & MAGNESIUM ASPARTATES= SPARTASE. /ASPARTIC ACID/

AVAILABLE COMMERCIALLY AS D(-)-, L(+)-, & DL-ASPARTIC ACID. /ASPARTIC ACID/

150 G ASPARTIC ACID WAS POLYMERIZED IN PRESENCE OF H3PO4 TO GIVE 150 G POLY(DEHYDROASPARTIC ACID) WHICH WAS TREATED WITH MORPHOLINE. POLYMER WAS INCORPORATED INTO AN ANIONIC SHAMPOO WITH 4% CONCN.

USP and FCC grades; 99% min grade

Household Products · 2 items

Information on 14 consumer products that contain Aspartic acid, disodium salt in the following categories is provided:

Information on 11 consumer products that contain Aspartic acid in the following categories is provided:

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]
上海钰博生物科技有限公司021-60514606 18321282235 · [email protected]

Related reactions

271 records

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