CHEBI:60088 - 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate
ChEBI ID CHEBI:60088
ChEBI ASCII Name 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate
Definition The anion resulting from the removal of a proton from the carboxylic acid group of 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB2409023, eMolecules:17665709, eMolecules:29913747, eMolecules:35779400, eMolecules:36749934, eMolecules:1937450, eMolecules:24639358
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-[(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-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate (CHEBI:60088) is conjugate base of 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:48690)
3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate (CHEBI:60088) is enantiomer of 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate (CHEBI:60089)
Incoming 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:48690) is conjugate acid of 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate (CHEBI:60088)
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate (CHEBI:60089) is enantiomer of 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate (CHEBI:60088)
IUPAC Name
3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoate
Synonyms Sources
3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propionate ChEBI
3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propionate ChEBI
Last Modified
19 August 2010