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CHEBI:60089 - 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate

Default Structure
ChEBI IDCHEBI:60089
ChEBI Name3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate
Stars
ASCII Name3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate
DefinitionThe anion resulting from the removal of a proton from the carboxylic acid group of 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid.
Last Modified19 August 2010
SubmitterGareth Owen
DownloadsMolfile
FormulaC9H11O4
Net Charge-1
Average Mass183.183
Monoisotopic Mass183.06628
SMILESO=C([O-])CCC1=CC=C[C@H](O)[C@@H]1O
InChIInChI=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+/m0/s1
InChIKeyRKDFGWAXBBGKMR-IONNQARKSA-M
ChEBI Ontology
Outgoing Relation(s)
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-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate (CHEBI:60089) is conjugate base of 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:10472)
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)
Incoming Relation(s)
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:10472) is conjugate acid of 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoate (CHEBI:60089)
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)
IUPAC Name 
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoate
Synonyms  Source
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propionateChEBI
3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propionateChEBI