Basic information
- CAS
53861-57-7- Standard SMILES
N[C@@H](CC(C(=O)O)C(=O)O)C(=O)O- InChIKey
UHBYWPGGCSDKFX-VKHMYHEASA-N- Molecular formula
- C6H9NO6
- Average molar mass
- 191.14 g/mol
- Monoisotopic mass
- 191.04298701
Names & identifiers
- Preferred name
- gamma-Carboxyglutamic acid
- IUPAC
- (3S)-3-aminopropane-1,1,3-tricarboxylic acid
- English name
- H-Gla-OH
- Molecular formula
- C6H9NO6
- Molecular weight
- 191.14
Names & synonyms
gamma-Carboxyglutamic acid53861-57-7Gamma-Carboxy-Glutamic Acid(3S)-3-aminopropane-1,1,3-tricarboxylic acidgamma-Carboxy-L-glutamic acidL-Gla-OHH-L-Gla-OH16FQV4RZKLCarboxyglutamic acid(3S)-3-amino-1,1,3-propanetricarboxylic acid4-CARBOXYGLUEINECS 258-825-9
Show more names
γ-Carboxyglutamic acidH-Gla-OHH-g-Carboxy-Glu-OHH-L-Glu(γ-COOH)-OHH-G-CARBOXY-L-GLU-OHH-L-GLU(GAMMA-COOH)-OHH-GAMMA-CARBOXY-GLU-OH
GLA (AMINO ACID)gamma-carboxy-glutamic acid zwitterion1,1,3-Propanetricarboxylic acid, 3-amino-, (3S)-CHEBI:41450DTXSID301314132.GAMMA.-CARBOXYGLUTAMIC ACIDL-.GAMMA.-CARBOXYGLUTAMIC ACID.GAMMA.-CARBOXYGLUTAMIC ACID [MI]
Database identifiers
- CAS
53861-57-7- PubChem CID
- 104625
- DTXSID
DTXSID301314132- ChEMBL
CHEMBL38397- ChEBI
CHEBI:41450- UNII
- 16FQV4RZKL
- EC Number
- 258-825-9
- Nikkaji
- J39.446G
Properties
Computed structural properties
- XLogP
- -3.7
- Topological polar surface area
- 138 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 223
Physicochemical properties
- Melting point
- 167 · 167-167.5° (dec)
- alpha
- 20 · D20 +35.3° (c = 1 in 6N HCl)
- Boiling point
- 326.86 °C · 326.86°C (rough estimate)
- Density
- 1.5784 · 1.5784 (rough estimate)
- refractive index
- 1.486 · 1.4860 (estimate)
- storage temp.
- 20 °C · −20°C
- pka
- 1.7 · 1.7(at 25℃)
- Merck
- 13 · 13,1839
- FDA UNII
- 16 FQV4RZKL · 16FQV4RZKL
- WGK Germany
- 3 · 3
- F
- 10 · 10-21
Safety & regulation
Safety data
- F
- 10-21
- wgk
- 3
Chemistry & industry
Suppliers11 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海海皋科技有限公司021-57646680 18306277365 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
广州爱纯医药科技有限公司020-39119399 18927568969 · [email protected]
Alabiotech Inc.001-619-354-5251 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
大连阿拉宁生物技术有限公司0411-39042497 · [email protected]
BOC Sciences+1-631-485-4226 · [email protected]
Nextpeptide Inc+86-0571-81612335 +8613336028439 · [email protected]
Additional notes
DefinitionChEBI: A non-proteinogenic L-alpha-amino acid that is L-glutamic acid in which one of the gamma-hydrogens is substituted by a carboxy group.
Related reactions
2 records
Compound notes
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