Basic information
- CAS
17388-96-4- Standard SMILES
N[C@@H](Cc1ccc(C(=O)O)oc1=O)C(=O)O- InChIKey
GHFJNBYZGVNAOV-YFKPBYRVSA-N- Molecular formula
- C9H9NO6
- Average molar mass
- 227.17 g/mol
- Monoisotopic mass
- 227.04298701
Overview
Stizolobinic acid is a L-alpha-amino acid.
Names & identifiers
- Preferred name
- Stizolobinic acid
- IUPAC
- 5-[(2S)-2-amino-2-carboxyethyl]-6-oxopyran-2-carboxylic acid
- English name
- (αS)-α-Amino-6-carboxy-2-oxo-2H-pyran-3-propanoic acid
- Molecular formula
- C9H9NO6
- Molecular weight
- 227.17
Names & synonyms
Stizolobinic acid17388-96-40AM79OKI575-[(2S)-2-amino-2-carboxyethyl]-6-oxopyran-2-carboxylic acidalpha-Amino-6-carboxy-2-oxo-2H-pyran-3-propionic acidDTXSID101696772H-Pyran-3-propanoic acid, alpha-amino-6-carboxy-2-oxo-, (S)-5-((2S)-2-amino-2-carboxyethyl)-6-oxopyran-2-carboxylic acid5-((2S)-2-amino-2-carboxy-ethyl)-6-oxo-pyran-2-carboxylic acid5-[(2S)-2-amino-2-carboxy-ethyl]-6-oxo-pyran-2-carboxylic acidRefChem:185794DTXCID0092168
Show more names
(αS)-α-Amino-6-carboxy-2-oxo-2H-pyran-3-propanoic acid2H-Pyran-3-propanoic acid, α-amino-6-carboxy-2-oxo-, (αS)-
StizolobinateL-stizolobinic acidAC1L50CB3-[(2s)-2-amino-2-carboxyethyl]-2-oxo-2h-pyran-6-carboxylic acidUNII-0AM79OKI57SCHEMBL29716045CHEBI:181950C06048
Database identifiers
- CAS
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 127 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 408
Physicochemical properties
- Boiling point
- 530.9 · 530.9±50.0 °C(Predicted)
- Density
- 1.604 · 1.604±0.06 g/cm3(Predicted)
- pka
- 2.1 · 2.10±0.10(Predicted)
- FDA UNII
- 0 AM79OKI57 · 0AM79OKI57
Chemistry & industry
Additional notes
DefinitionChEBI: Stizolobinic acid is a L-alpha-amino acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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