CHEBI:36258 - but-2-enoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name but-2-enoate
ChEBI ID CHEBI:36258
Definition The conjugate base of but-2-enoic acid.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:36251, CHEBI:11530, CHEBI:19482
Supplier Information
Download Molfile XML SDF
Formula C4H5O2
Net Charge -1
Average Mass 85.08130
Monoisotopic Mass 85.02950
InChI InChI=1S/C4H6O2/c1-2-3-4(5)6/h2-3H,1H3,(H,5,6)/p-1
InChIKey LDHQCZJRKDOVOX-UHFFFAOYSA-M
SMILES [H]C(C)=CC([O-])=O
ChEBI Ontology
Outgoing 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 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-butenoate ChEBI
Registry Numbers Types Sources
324282 Gmelin Registry Number Gmelin
3587578 Beilstein Registry Number Beilstein
Last Modified
19 August 2015