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CHEBI:60872 - leucodopachrome

ChEBI IDCHEBI:60872
ChEBI Nameleucodopachrome
Stars
DefinitionA 5,6-dihydroxyindoline-2-carboxylic acid with S stereochemistry at C-2.
Last Modified26 September 2024
SubmitterR. Stephan
DownloadsMolfile
FormulaC9H9NO4
Net Charge0
Average Mass195.174
Monoisotopic Mass195.05316
SMILESO=C(O)[C@@H]1Cc2cc(O)c(O)cc2N1
InChIInChI=1S/C9H9NO4/c11-7-2-4-1-6(9(13)14)10-5(4)3-8(7)12/h2-3,6,10-12H,1H2,(H,13,14)/t6-/m0/s1
InChIKeyJDWYRSDDJVCWPB-LURJTMIESA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
leucodopachrome (CHEBI:60872) has role metabolite (CHEBI:25212)
leucodopachrome (CHEBI:60872) is a 5,6-dihydroxyindoline-2-carboxylic acid (CHEBI:231764)
leucodopachrome (CHEBI:60872) is tautomer of leucodopachrome zwitterion (CHEBI:231766)
Incoming Relation(s)
cyclodopa 5-β-D-glucoside (CHEBI:134458) has functional parent leucodopachrome (CHEBI:60872)
leucodopachrome zwitterion (CHEBI:231766) is tautomer of leucodopachrome (CHEBI:60872)
IUPAC Name 
(2S)-5,6-dihydroxy-2,3-dihydro-1H-indole-2-carboxylic acid
Synonyms  Source
cyclodopaSUBMITTER
L-2-carboxy-2,3-dihydro-5,6-dihydroxyindoleSUBMITTER
LeukodopachromeChemIDplus
(S)-5,6-dihydroxyindoline-2-carboxylic acidChEBI
(S)-2-carboxy-5,6-dihydroxyindolineChEBI
cyclo-DopaKEGG COMPOUND
Manual XrefsDatabases
C05604KEGG COMPOUND
Registry NumbersSources
Beilstein:480086Beilstein
CAS:18766-67-1ChemIDplus
CAS:18766-67-1KEGG COMPOUND
Citations