L-Dopachrome
Basic information
- CAS
89762-39-0- Standard SMILES
O=C1C=C2C[C@@H](C(=O)O)NC2=CC1=O- InChIKey
VJNCICVKUHKIIV-LURJTMIESA-N- Molecular formula
- C9H7NO4
- Average molar mass
- 193.16 g/mol
- Monoisotopic mass
- 193.0375077
Overview
L-dopachrome is the L-enantiomer of dopachrome. It has a role as a mouse metabolite. It is a conjugate acid of a L-dopachromate. It is an enantiomer of a D-dopachrome.
Names & identifiers
- Preferred name
- L-Dopachrome
- IUPAC
- (2S)-5,6-dioxo-2,3-dihydro-1H-indole-2-carboxylic acid
- English name
- (2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid
- Molecular formula
- C9H7NO4
- Molecular weight
- 193.16
Names & synonyms
L-dopachrome2-L-carboxy-2,3-dihydroindole-5,6-quinoneCHEBI:15772DTXSID501046666(2S)-5,6-dioxo-2,3-dihydro-1H-indole-2-carboxylateRefChem:1088162(2S)-5,6-dioxo-2,3-dihydro-1H-indole-2-carboxylic acidDTXCID301528488Dopachrome, (S)-89762-39-063LR8AMX5RUNII-63LR8AMX5R
Show more names
(2S)-5,6-dioxo-2,4-dihydro-1H-indole-2-carboxylic acid(2S)-2,3,5,6-Tetrahydro-5,6-dioxo-1H-indole-2α-carboxylic acid
(2S)-5,6-dioxo-2,3,5,6-tetrahydro-1H-indole-2-carboxylic acid(2S)-2,3,5,6-Tetrahydro-5,6-dioxo-1H-indole-2-carboxylic acid1H-Indole-2-carboxylic acid, 2,3,5,6-tetrahydro-5,6-dioxo-, (2S)-orb3179839SCHEMBL29529190C01693Q27098224
Database identifiers
- CAS
89762-39-0- PubChem CID
- 5459802
- DTXSID
DTXSID501046666- ChEBI
CHEBI:15772- UNII
- 63LR8AMX5R
- Nikkaji
- J1.203.320F、J260.087K
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 83.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 405
Experimental & physicochemical properties
Physical DescriptionSolid
Physicochemical properties
- FDA UNII
- 63 LR8AMX5R · 63LR8AMX5R
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Metabolite PathwaysAlkaptonuria
Additional notes
DefinitionChEBI: L-dopachrome is the L-enantiomer of dopachrome. It has a role as a mouse metabolite. It is a conjugate acid of a L-dopachromate. It is an enantiomer of a D-dopachrome.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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