DL-Cysteic acid
Basic information
- CAS
13100-82-8- Standard SMILES
NC(CS(=O)(=O)O)C(=O)O- InChIKey
XVOYSCVBGLVSOL-UHFFFAOYSA-N- Molecular formula
- C3H7NO5S
- Average molar mass
- 169.16 g/mol
- Monoisotopic mass
- 169.00449332
Overview
Cysteic acid is an amino sulfonic acid that is the sulfonic acid analogue of cysteine. It has a role as an animal metabolite. It is an alanine derivative, a cysteine derivative, an amino sulfonic acid, a carboxyalkanesulfonic acid and a non-proteinogenic alpha-amino acid.
Names & identifiers
- Preferred name
- DL-Cysteic acid
- IUPAC
- 2-amino-3-sulfopropanoic acid
- English name
- Cysteic acid
- Molecular formula
- C3H7NO5S
- Molecular weight
- 169.16
Names & synonyms
13100-82-8DL-CYSTEIC ACIDCysteic AcidcysteateAlanine, 3-sulfo-beta-SulfoalanineA3OGP4C37WCYSTEIC ACID, DL-CHEBI:212603 Sulfoalaninebeta SulfoalanineAcid, Cysteic
Show more names
cysteicaciDL-Alanine, 3-sulfo-CYSTEIC ACID USP/EP/BPα-Amino-β-sulfopropionic acid2-Amino-3-sulfopropionic acid
RefChem:9205462-amino-3-sulfopropanoic acid3-Sulfoalanine3024-83-7Cysteinic acidCepteic acidCipteic acidCysteric acid
Database identifiers
- CAS
13100-82-8、498-40-8- PubChem CID
- 25701
- DTXSID
DTXSID40862048- ChEMBL
CHEMBL1171434- ChEBI
CHEBI:21260- UNII
- A3OGP4C37W
- EC Number
- 829-938-6
- Nikkaji
- J8.084E
Properties
Computed structural properties
- XLogP
- -4.5
- Topological polar surface area
- 126 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 214
Experimental & physicochemical properties
Chemical ClassesOther Uses -> Biochemical Research
Physical Description
Solid; [Merck Index]
Solid
Collision Cross Section131.4 Ų [M+Na-2H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
Physicochemical properties
- Density
- 1.433 · 1.433 (estimate)
- refractive index
- 1.513 · 1.5130 (estimate)
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- pka
- 0.68 · 0.68±0.50(Predicted)
- Appearance
- White to off-white Solid
- Cosmetics Ingredients Functions
- SKIN CONDITIONING
- FDA UNII
- 3 OGP4C37W · A3OGP4C37W
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Pharmacology
Cellular LocationsMitochondria
Metabolite PathwaysTaurine and Hypotaurine Metabolism
Uses & manufacturing
UsesAn amino acid with a C-terminal sulfonic acid group which has been isolated from human hair oxidized with permanganate. It occurs normally in the outer part of the sheep's fleece, where the wool is exposed to light and weather. [ChemIDplus]
Applications
Uses3-Sulfoalanine,
Upstream & downstream products
Upstream raw materials
Additional notes
DefinitionChEBI: An amino sulfonic acid that is the sulfonic acid analogue of cysteine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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