CHEBI:1774 - (E)-4-(trimethylammonio)but-2-enoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (E)-4-(trimethylammonio)but-2-enoic acid
ChEBI ID CHEBI:1774
ChEBI ASCII Name (E)-4-(trimethylammonio)but-2-enoic acid
Definition A 4-(trimethylammonio)but-2-enoic acid with a (E)-configuration at the double bond.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C7H14NO2
Net Charge +1
Average Mass 144.19160
Monoisotopic Mass 144.10191
InChI InChI=1S/C7H13NO2/c1-8(2,3)6-4-5-7(9)10/h4-5H,6H2,1-3H3/p+1/b5-4+
InChIKey GUYHPGUANSLONG-SNAWJCMRSA-O
SMILES C[N+](C)(C)C\C=C\C(O)=O
ChEBI Ontology
Outgoing (E)-4-(trimethylammonio)but-2-enoic acid (CHEBI:1774) is a 4-(trimethylammonio)but-2-enoic acid (CHEBI:48867)
(E)-4-(trimethylammonio)but-2-enoic acid (CHEBI:1774) is conjugate acid of (E)-4-(trimethylammonio)but-2-enoate (CHEBI:17237)
Incoming (E)-4-(trimethylammonio)but-2-enoyl-CoA (CHEBI:61123) has functional parent (E)-4-(trimethylammonio)but-2-enoic acid (CHEBI:1774)
(E)-4-(trimethylammonio)but-2-enoate (CHEBI:17237) is conjugate base of (E)-4-(trimethylammonio)but-2-enoic acid (CHEBI:1774)
IUPAC Name
(2E)-3-carboxy-N,N,N-trimethylprop-2-en-1-aminium
Synonym Source
4-(Trimethylammonio)but-2-enoate KEGG COMPOUND
Manual Xref Database
C04114 KEGG COMPOUND
View more database links
Registry Numbers Types Sources
1764693 Reaxys Registry Number Reaxys
1764693 Beilstein Registry Number Beilstein
Last Modified
02 February 2015