CHEBI:176711 - (4S)-4-[(2E)-2-Octenoyloxy]-4-(trimethylammonio)butanoate

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name (4S)-4-[(2E)-2-Octenoyloxy]-4-(trimethylammonio)butanoate
ChEBI ID CHEBI:176711
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C15H27NO4
Net Charge 0
Average Mass 285.384
Monoisotopic Mass 285.19401
InChI InChI=1S/C15H27NO4/c1-5-6-7-8-9-10-15(19)20-13(16(2,3)4)11-12-14(17)18/h9-10,13H,5-8,11-12H2,1-4H3/b10-9+/t13-/m0/s1
InChIKey YMIVWYONPRZBEJ-LXKVQUBZSA-N
SMILES O([C@H]([N+](C)(C)C)CCC([O-])=O)C(=O)/C=C/CCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000118). of strain [] See: MetaboLights Study
Homo sapiens (NCBI:txid9606) Found in blood plasma (BTO:0000118). of strain [] See: MetaboLights Study
ChEBI Ontology
Outgoing (4S)-4-[(2E)-2-Octenoyloxy]-4-(trimethylammonio)butanoate (CHEBI:176711) is a fatty acid ester (CHEBI:35748)
IUPAC Name
(4S)-4-[(E)-oct-2-enoyl]oxy-4-(trimethylazaniumyl)butanoate
Manual Xrefs Databases
30776708 ChemSpider
HMDB0013324 HMDB
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