EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:48690 - 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid

Default Structure
ChEBI IDCHEBI:48690
ChEBI Name3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid
Stars
ASCII Name3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid
Last Modified19 August 2010
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC9H12O4
Net Charge0
Average Mass184.191
Monoisotopic Mass184.07356
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)/t7-,9+/m1/s1
InChIKeyRKDFGWAXBBGKMR-APPZFPTMSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:48690) is a 3-(cis-5,6-dihydroxycyclohexa-1,3-dienyl)propanoic acid (CHEBI:48691)
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-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:48690) is enantiomer of 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:10472)
Incoming Relation(s)
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-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:10472) is enantiomer of 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid (CHEBI:48690)
IUPAC Name 
3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dien-1-yl]propanoic acid