CHEBI:17237 - (E)-4-(trimethylammonio)but-2-enoate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (E)-4-(trimethylammonio)but-2-enoate
ChEBI ID CHEBI:17237
ChEBI ASCII Name (E)-4-(trimethylammonio)but-2-enoate
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:20299
Supplier Information
Download Molfile XML SDF
Formula C7H13NO2
Net Charge 0
Average Mass 143.18366
Monoisotopic Mass 143.095
InChI InChI=1S/C7H13NO2/c1-8(2,3)6-4-5-7(9)10/h4-5H,6H2,1-3H3/b5-4+
InChIKey GUYHPGUANSLONG-SNAWJCMRSA-N
SMILES C[N+](C)(C)C\C=C\C([O-])=O
ChEBI Ontology
Outgoing (E)-4-(trimethylammonio)but-2-enoate (CHEBI:17237) is a 4-(trimethylammonio)but-2-enoate (CHEBI:11946)
(E)-4-(trimethylammonio)but-2-enoate (CHEBI:17237) is conjugate base of (E)-4-(trimethylammonio)but-2-enoic acid (CHEBI:1774)
Incoming (E)-4-(trimethylammonio)but-2-enoic acid (CHEBI:1774) is conjugate acid of (E)-4-(trimethylammonio)but-2-enoate (CHEBI:17237)
IUPAC Name
(2E)-4-(trimethylammonio)but-2-enoate
Synonyms Sources
(3-carboxyallyl)trimethylammonium hydroxide, inner salt ChemIDplus
croton betaine ChemIDplus
crotonic acid betaine ChemIDplus
crotonobetaine UniProt
crotonobetaine ChemIDplus
Crotonsäurebetain ChemIDplus
Manual Xref Database
C04114 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
4377338 Beilstein Registry Number Beilstein
927-89-9 CAS Registry Number ChemIDplus
Last Modified
15 January 2018