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CHEBI:36258 - but-2-enoate

ChEBI IDCHEBI:36258
ChEBI Namebut-2-enoate
Stars
DefinitionThe conjugate base of but-2-enoic acid.
Secondary ChEBI IDsCHEBI:11530, CHEBI:19482, CHEBI:36251
Last Modified19 August 2015
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC4H5O2
Net Charge-1
Average Mass85.082
Monoisotopic Mass85.02950
SMILES[H]C(C)=CC(=O)[O-]
InChIInChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/p-1
InChIKeyLDHQCZJRKDOVOX-UHFFFAOYSA-M
ChEBI Ontology
Outgoing Relation(s)
but-2-enoate (CHEBI:36258) is a butenoate (CHEBI:36029)
but-2-enoate (CHEBI:36258) is conjugate base of 2-butenoic acid (CHEBI:17217)
Incoming Relation(s)
4-(trimethylammonio)but-2-enoate (CHEBI:11946) has functional parent but-2-enoate (CHEBI:36258)
crotonate (CHEBI:35899) is a but-2-enoate (CHEBI:36258)
isocrotonate (CHEBI:36254) is a but-2-enoate (CHEBI:36258)
2-butenoic acid (CHEBI:17217) is conjugate acid of but-2-enoate (CHEBI:36258)
IUPAC Name 
but-2-enoate
Synonym  Source
2-butenoateChEBI
Registry NumbersSources
Gmelin:324282Gmelin
Beilstein:3587578Beilstein