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
Download Molfile XML SDF
Formula C9H9O4
Net Charge -1
Average Mass 181.16540
Monoisotopic Mass 181.050
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