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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

ChEBI Name 3-[(5R,6S)-5,6-dihydroxycyclohexa-1,3-dienyl]propanoic acid ChEBI ID CHEBI:48690 ChEBI ASCII Name 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:CB5741416, eMolecules:29543531, eMolecules:511617, Selleckchem:Estrone, ZINC000013509425 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C9H12O4 Net Charge 0 Average Mass 184.18918 Monoisotopic Mass 184.07356 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)/t7-,9+/m1/s1 InChIKey RKDFGWAXBBGKMR-APPZFPTMSA-N SMILES O[C@@H]1C=CC=C(CCC(O)=O)[C@@H]1O Roles Classification Chemical Role(s): Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid ) View more via ChEBI Ontology ChEBI Ontology Outgoing 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 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 Last Modified 19 August 2010