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CHEBI:177818 - 3-[(3-Hydroxypentadecanoyl)oxy]-4-(trimethylammonio)butanoate

ChEBI IDCHEBI:177818
ChEBI Name3-[(3-Hydroxypentadecanoyl)oxy]-4-(trimethylammonio)butanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC22H43NO5
Net Charge0
Average Mass401.588
Monoisotopic Mass401.31412
SMILESCCCCCCCCCCCCC(O)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C22H43NO5/c1-5-6-7-8-9-10-11-12-13-14-15-19(24)16-22(27)28-20(17-21(25)26)18-23(2,3)4/h19-20,24H,5-18H2,1-4H3
InChIKeyWJVDXGQFPKCLCW-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
3-[(3-Hydroxypentadecanoyl)oxy]-4-(trimethylammonio)butanoate (CHEBI:177818) is a O-acylcarnitine (CHEBI:17387)
IUPAC Name 
3-(3-hydroxypentadecanoyloxy)-4-(trimethylazaniumyl)butanoate
Manual XrefsDatabases
59664328ChemSpider
HMDB0061641HMDB