EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:177821 - 3-[(3-Hydroxytridecanoyl)oxy]-4-(trimethylammonio)butanoate

ChEBI IDCHEBI:177821
ChEBI Name3-[(3-Hydroxytridecanoyl)oxy]-4-(trimethylammonio)butanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H39NO5
Net Charge0
Average Mass373.534
Monoisotopic Mass373.28282
SMILESCCCCCCCCCCC(O)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C20H39NO5/c1-5-6-7-8-9-10-11-12-13-17(22)14-20(25)26-18(15-19(23)24)16-21(2,3)4/h17-18,22H,5-16H2,1-4H3
InChIKeyDOFFCMLMRQLXPK-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
3-[(3-Hydroxytridecanoyl)oxy]-4-(trimethylammonio)butanoate (CHEBI:177821) is a O-acylcarnitine (CHEBI:17387)
IUPAC Name 
3-(3-hydroxytridecanoyloxy)-4-(trimethylazaniumyl)butanoate
Manual XrefsDatabases
59664327ChemSpider
HMDB0061639HMDB