CHEBI:61451 - (E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate
ChEBI ID CHEBI:61451
ChEBI ASCII Name (E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate
Definition The (E)-isomer of 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Kristian Axelsen
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C9H9O4
Net Charge -1
Average Mass 181.16540
Monoisotopic Mass 181.05063
InChI InChI=1S/C9H10O4/c10-7-3-1-2-6(9(7)13)4-5-8(11)12/h1-5,7,9-10,13H,(H,11,12)/p-1/b5-4+/t7-,9+/m0/s1
InChIKey AEUBLTTWYCDTGM-HXOXMVQHSA-M
SMILES O[C@H]1C=CC=C(/C=C/C([O-])=O)[C@H]1O
ChEBI Ontology
Outgoing (E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate (CHEBI:61451) is a 3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate (CHEBI:60108)
(E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate (CHEBI:61451) is conjugate base of (E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid (CHEBI:61462)
Incoming (E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylic acid (CHEBI:61462) is conjugate acid of (E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate (CHEBI:61451)
IUPAC Name
(2E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate
Synonyms Sources
(2E)-3-(cis-5,6-dihydroxycyclohexa-1,3-dien-1-yl)acrylate ChEBI
(2E)-3-(cis-5,6-dihydroxycyclohexa-1,3-dien-1-yl)prop-2-enoate UniProt
(E)-3-(cis-5,6-dihydroxycyclohexa-1,3-dien-1-yl)prop-2-enoate SUBMITTER
(E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate anion ChEBI
(E)-3-[(5S,6R)-5,6-dihydroxycyclohexa-1,3-dienyl]acrylate(1−) ChEBI
Last Modified
23 February 2011