Basic information
- Standard SMILES
O=C(O)C(=O)[C@H](O)COP(=O)(O)O- InChIKey
MZJFVXDTNBHTKZ-UWTATZPHSA-N- Molecular formula
- C4H7O8P
- Average molar mass
- 214.07 g/mol
- Monoisotopic mass
- 213.98785418
Overview
(R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid is a 2-oxo monocarboxylic acid that is 2-oxobutanoic acid which is substituted by a phosphonooxy group at position 4 and a hydroxy group at the 3-pro-R position. It has a role as a mouse metabolite and an Escherichia coli metabolite. It is a secondary alpha-hydroxy ketone, a 2-oxo monocarboxylic acid, a 3-hydroxy monocarboxylic acid, an oxoalkyl phosphate, a hydroxyalkyl phosphate and a carboxyalkyl phosphate. It is functionally related to a butyric acid. It is a conjugate acid of a (R)-3-hydroxy-2-oxo-4-(phosphonatoooxy)butanoate.
Names & identifiers
- Preferred name
- 2-Oxo-3-hydroxy-4-phosphobutanoic acid
- IUPAC
- (3R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid
Names & synonyms
(3R)-3-hydroxy-2-oxo-4-(phosphonooxy)butanoic acid2-Oxo-3-hydroxy-4-phosphobutanoic acidRefChem:1064042(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoate(R)-3-hydroxy-2-oxo-4-phosphonooxybutanoic acid2-Oxo-3-hydroxy-4-phosphobutanoatealpha-Keto-3-hydroxy-4-phosphobutyrate(3R)-3-Hydroxy-2-oxo-4-phosphonooxybutanoic acidSCHEMBL2510085CHEBI:27951DTXSID701344832(3R)-3-Hydroxy-2-oxo-4-phosphooxybutanoate
Show more names
C06054Q27103419
Database identifiers
- PubChem CID
- 21145142
- DTXSID
DTXSID701344832- ChEBI
CHEBI:27951- Nikkaji
- J2.761.015C
Properties
Computed structural properties
- XLogP
- -2.7
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 253
Experimental & physicochemical properties
Physical DescriptionSolid
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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