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CHEBI:17217 - 2-butenoic acid

ChEBI IDCHEBI:17217
ChEBI Name2-butenoic acid
Stars
DefinitionA butenoic acid having the double bond at position C-2.
Secondary ChEBI IDsCHEBI:1027, CHEBI:19484, CHEBI:19485
Last Modified17 April 2015
DownloadsMolfile
FormulaC4H6O2
Net Charge0
Average Mass86.090
Monoisotopic Mass86.03678
SMILES[H]C(C)=CC(=O)O
InChIInChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)
InChIKeyLDHQCZJRKDOVOX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-butenoic acid (CHEBI:17217) is a butenoic acid (CHEBI:22959)
2-butenoic acid (CHEBI:17217) is a α,β-unsaturated monocarboxylic acid (CHEBI:79020)
2-butenoic acid (CHEBI:17217) is conjugate acid of but-2-enoate (CHEBI:36258)
Incoming Relation(s)
(Z)-2-aminobutenoic acid (CHEBI:18820) has functional parent 2-butenoic acid (CHEBI:17217)
2-aminobut-2-enoic acid (CHEBI:48305) has functional parent 2-butenoic acid (CHEBI:17217)
2-hydroxy-4-(1-oxo-1,3-dihydro-2H-inden-2-ylidene) but-2-enoic acid (CHEBI:19608) has functional parent 2-butenoic acid (CHEBI:17217)
2-hydroxy-4-(2-oxo-1,3-dihydro-2H-inden-1-ylidene) but-2-enoic acid (CHEBI:19609) has functional parent 2-butenoic acid (CHEBI:17217)
2-methylbut-2-enoic acid (CHEBI:36432) has functional parent 2-butenoic acid (CHEBI:17217)
3-methylbut-2-enoic acid (CHEBI:37127) has functional parent 2-butenoic acid (CHEBI:17217)
but-2-enoate ester (CHEBI:50654) has functional parent 2-butenoic acid (CHEBI:17217)
but-2-enoyl-CoA (CHEBI:36926) has functional parent 2-butenoic acid (CHEBI:17217)
methyl 3-hydroxybut-2-enoate (CHEBI:38726) has functional parent 2-butenoic acid (CHEBI:17217)
crotonic acid (CHEBI:41131) is a 2-butenoic acid (CHEBI:17217)
isocrotonic acid (CHEBI:36253) is a 2-butenoic acid (CHEBI:17217)
but-2-enoate (CHEBI:36258) is conjugate base of 2-butenoic acid (CHEBI:17217)
IUPAC Name 
but-2-enoic acid
Synonyms  Source
2-ButenoateKEGG COMPOUND
2-Butenoic acidKEGG COMPOUND
Crotonic acidKEGG COMPOUND
α-butenoic acidChemIDplus
α-crotonic acidChemIDplus
β-methylacrylic acidChemIDplus
Manual XrefsDatabases
C01771KEGG COMPOUND
Registry NumbersSources
Gmelin:324286Gmelin
Reaxys:1098434Reaxys
CAS:3724-65-0KEGG COMPOUND
CAS:3724-65-0ChemIDplus