CHEBI:60087 - 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoate
ChEBI ID CHEBI:60087
ChEBI ASCII Name 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoate
Definition The anion resulting from the removal of a proton from the carboxylic acid group of 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C9H11O4
Net Charge -1
Average Mass 183.18120
Monoisotopic Mass 183.06628
InChI InChI=1S/C9H12O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-3,7,9-10,13H,4-5H2,(H,11,12)/p-1/t7-,9+/m1/s1
InChIKey RKDFGWAXBBGKMR-APPZFPTMSA-M
SMILES O[C@@H]1C=CC=C(CCC([O-])=O)[C@@H]1O
ChEBI Ontology
Outgoing 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoate (CHEBI:60087) is a cyclohexadienediol (CHEBI:23469)
3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoate (CHEBI:60087) is a monocarboxylic acid anion (CHEBI:35757)
3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoate (CHEBI:60087) is conjugate base of 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoic acid (CHEBI:48691)
Incoming 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate (CHEBI:60088) is a 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoate (CHEBI:60087)
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate (CHEBI:60089) is a 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoate (CHEBI:60087)
3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoic acid (CHEBI:48691) is conjugate acid of 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoate (CHEBI:60087)
IUPAC Name
3-[rel-(5R,6S)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoate
Synonyms Sources
3-(cis-5,6-dihydroxycyclohexa-1,3-dien-1-yl)propanoate UniProt
3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoate ChEBI
3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propionate ChEBI
Last Modified
18 October 2017