EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:37080 - acrylate

ChEBI IDCHEBI:37080
ChEBI Nameacrylate
Stars
Secondary ChEBI IDsCHEBI:13721, CHEBI:35937
Last Modified10 March 2014
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC3H3O2
Net Charge-1
Average Mass71.055
Monoisotopic Mass71.01385
SMILESC=CC(=O)[O-]
InChIInChI=1S/C3H4O2/c1-2-3(4)5/h2H,1H2,(H,4,5)/p-1
InChIKeyNIXOWILDQLNWCW-UHFFFAOYSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
acrylate (CHEBI:37080) has role human metabolite (CHEBI:77746)
acrylate (CHEBI:37080) is a monocarboxylic acid anion (CHEBI:35757)
acrylate (CHEBI:37080) is conjugate base of acrylic acid (CHEBI:18308)
Incoming Relation(s)
(Z)-2-methylureidoacrylate (CHEBI:143783) has functional parent acrylate (CHEBI:37080)
methacrylate (CHEBI:25218) has functional parent acrylate (CHEBI:37080)
phosphoenolpyruvate (CHEBI:18021) has functional parent acrylate (CHEBI:37080)
ureidoacrylate (CHEBI:59891) has functional parent acrylate (CHEBI:37080)
acrylic acid (CHEBI:18308) is conjugate acid of acrylate (CHEBI:37080)
IUPAC Name 
prop-2-enoate
Synonyms  Source
2-propenoic acid, ion(1−)ChemIDplus
2-propenoateChemIDplus
PropenoateKEGG COMPOUND
UniProt Name  Source
acrylateUniProt
Manual XrefsDatabases
c0113UM-BBD
C00511KEGG COMPOUND
Registry NumbersSources
Beilstein:3535778Beilstein
Beilstein:3931336Beilstein
Gmelin:323518Gmelin
CAS:10344-93-1ChemIDplus