3-dehydro-L-gulonate
Basic information
- Standard SMILES
O=C(O)[C@@H](O)C(=O)[C@H](O)[C@@H](O)CO- InChIKey
WTAHRPBPWHCMHW-LWKDLAHASA-N- Molecular formula
- C6H10O7
- Average molar mass
- 194.14 g/mol
- Monoisotopic mass
- 194.04265265
Overview
3-dehydro-L-gulonic acid is a derivative of L-gulonic acid having a keto group at the 3-position. It has a role as an Escherichia coli metabolite. It is a ketoaldonic acid and a hexonic acid. It is functionally related to a L-gulonic acid. It is a conjugate acid of a 3-dehydro-L-gulonate.
Names & identifiers
- Preferred name
- 3-dehydro-L-gulonate
- IUPAC
- (2S,4R,5S)-2,4,5,6-tetrahydroxy-3-oxohexanoic acid
Names & synonyms
3-dehydro-L-gulonate(2S,4R,5S)-2,4,5,6-tetrahydroxy-3-oxohexanoic acidCHEBI:57655RefChem:936423-dehydro-L-gulonic acidL-xylo-hex-3-ulosonic acidC00618SCHEMBL938899CHEBI:16142DTXSID601344227Q27098398
Database identifiers
- PubChem CID
- 439273
- DTXSID
DTXSID601344227- ChEBI
CHEBI:16142- Nikkaji
- J2.729.793E
Properties
Computed structural properties
- XLogP
- -2.8
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Experimental & physicochemical properties
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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