StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.8.0
  1. Startseite
  2. /Verbindung

DL-valine

HCID 1182
Neue NotizNeue ReaktionAnfrage stellen
Druckvorschau

Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen

GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
25609-85-2
Standard-SMILES
CC(C)C(N)C(=O)O
InChIKey
KZSNJWFQEVHDMF-UHFFFAOYSA-N
Summenformel
C5H11NO2
Durchschnittliche Molmasse
117,15 g/mol
Monoisotopische Masse
117,07897859

Überblick

Valine is a branched-chain amino acid that consists of glycine in which one of the hydrogens attached to the alpha-carbon is substituted by an isopropyl group. It has a role as a plant metabolite and a Daphnia magna metabolite. It is a branched-chain amino acid and an alpha-amino acid. It contains an isopropyl group. It is a conjugate base of a valinium. It is a conjugate acid of a valinate.

Namen und Bezeichner

Bevorzugter Name
DL-valine
IUPAC
2-amino-3-methylbutanoic acid
Englischer Name
POLY-L-VALINE
Summenformel
C5H11NO2
Molmasse
117.14634

Namen und Synonyme

DL-Valine516-06-32-Amino-3-methylbutanoic acidValine, DL-FEMA No. 3444D,L-VALINENSC 9755CCRIS 86044CA13A832HNSC-9755EINECS 208-220-02Aminoisovaleric acid, DL
Weitere Namen anzeigen
polyvalinePOLY-L-VALINEPOLY-L-VALINE USP/EP/BP
D,L-VALINE [FHFI]alphaAminoisovaleric acid, DL2Amino3methylbutyric acid, DLAI3-183082Amino3methylbutanoic acid, DLDTXSID70859522Valine, DLRefChem:589987

Datenbank-Bezeichner

CAS
25609-85-2、516-06-3、640-68-6、72-18-4
PubChem CID
1182
DTXSID
DTXSID70859522
ChEMBL
CHEMBL11257
ChEBI
CHEBI:27266
UNII
4CA13A832H
EC Number
208-220-0
Nikkaji
J1.282C

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
-2,3
Polarare Oberfläche (TPSA)
63,3 Ų
H-Brücken-Donoren
2
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
2
Schwere Atome
8
Formalladung
0
Komplexität
90,4

Experimentelle und physikochemische Eigenschaften

Chemical ClassesBiological Agents -> Amino Acids and Derivatives
DrugsPharmaceuticals
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]
Food AdditivesFLAVORING AGENT OR ADJUVANT, NUTRIENT SUPPLEMENT -> FDA Substance added to food
Flavoring AgentsEU Flavoring substances
Solubility · 2 Einträge

Soluble in water; Insoluble in ether

Insoluble (in ethanol)

Physical Description · 2 Einträge

Solid; [Merck Index] White crystalline solid; [Alfa Aesar MSDS]

White crystalline powder; odourless

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 3 Einträge

This chemical does not meet GHS hazard criteria for 100% (117 of 117) of all reports.

Not Classified

Aggregated GHS information provided per 117 reports by companies from 1 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: DL-Valine

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

Valine: Does not have an individual approval but may be used under an appropriate group standard

Other Safety InformationIMAP assessments - DL-Valine: Environment tier I assessment
Hazards SummarySafe when used as a flavoring agent in food; [JECFA] May cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesNot Classified

Toxikologische Informationen

Exposure RoutesAbsorbed from the small intestine by a sodium-dependent active-transport process.
Toxicity Summary · 1 Eintrag

(Applies to Valine, Leucine and Isoleucine) <br/>This group of essential amino acids are identified as the branched-chain amino acids, BCAAs. Because this arrangement of carbon atoms cannot be made by humans, these amino acids are an essential element in the diet. The catabolism of all three compounds initiates in muscle and yields NADH and FADH2 which can be utilized for ATP generation. The catabolism of all three of these amino acids uses the same enzymes in the first two steps. The first step in each case is a transamination using a single BCAA aminotransferase, with a-ketoglutarate as amine acceptor. As a result, three different a-keto acids are produced and are oxidized using a common branched-chain a-keto acid dehydrogenase, yielding the three different CoA derivatives. Subsequently the metabolic pathways diverge, producing many intermediates. <br/>The principal product from valine is propionylCoA, the glucogenic precursor of succinyl-CoA. Isoleucine catabolism terminates with production of acetylCoA and propionylCoA; thus isoleucine is both glucogenic and ketogenic. Leucine gives rise to acetylCoA and acetoacetylCoA, and is thus classified as strictly ketogenic. <br/>There are a number of genetic diseases associated with faulty catabolism of the BCAAs. The most common defect is in the branched-chain a-keto acid dehydrogenase. Since there is only one dehydrogenase enzyme for all three amino acids, all three a-keto acids accumulate and are excreted in the urine. The disease is known as Maple syrup urine disease because of the characteristic odor of the urine in afflicted individuals. Mental retardation in these cases is extensive. Unfortunately, since these are essential amino acids, they cannot be heavily restricted in the diet; ultimately, the life of afflicted individuals is short and development is abnormal The main neurological problems are due to poor formation of myelin in the CNS.

Chemie und Industrie

Pharmakologische Informationen

Metabolism/MetabolitesHepatic

Verwendung und Herstellung

Uses · 2 Einträge

Valine is an essential amino acid; [Merck Index] Used as a flavoring agent and nutritional supplement; [FDA]

Promotes mental vigor, muscle coordination, and calm emotions. May also be of use in a minority of patients with hepatic encephalopathy and in some with phenylketonuria.

Use Classification · 3 Einträge

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

General Manufacturing InformationValine: ACTIVE

Zugehörige Reaktionen

75
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 64787
HRID 64787als Eduktuspto-grants-1986_09
Reaktionsgleichung von HRID 86219
HRID 86219als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 89417
HRID 89417als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 93350
HRID 93350als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 105453
HRID 105453als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 108452
HRID 108452als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 111006
HRID 111006als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 115800
HRID 115800als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Seite 1 von 10

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
Weitere Aktionen
Neue NotizNeue ReaktionAnfrage stellen
Signs and SymptomsSymptoms of hypoglycemia.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).