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CHEBI:177729 - (4S)-4-[(11-Carboxyundecanoyl)oxy]-4-(trimethylammonio)butanoate

Default Structure
ChEBI IDCHEBI:177729
ChEBI Name(4S)-4-[(11-Carboxyundecanoyl)oxy]-4-(trimethylammonio)butanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H35NO6
Net Charge0
Average Mass373.490
Monoisotopic Mass373.24644
SMILESC[N+](C)(C)[C@H](CCC(=O)[O-])OC(=O)CCCCCCCCCCC(=O)O
InChIInChI=1S/C19H35NO6/c1-20(2,3)16(14-15-18(23)24)26-19(25)13-11-9-7-5-4-6-8-10-12-17(21)22/h16H,4-15H2,1-3H3,(H-,21,22,23,24)/t16-/m0/s1
InChIKeyVJPIDPQNAYWULC-INIZCTEOSA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) Sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
(4S)-4-[(11-Carboxyundecanoyl)oxy]-4-(trimethylammonio)butanoate (CHEBI:177729) is a carbonyl compound (CHEBI:36586)
IUPAC Name 
(4S)-4-(11-carboxyundecanoyloxy)-4-(trimethylazaniumyl)butanoate
Manual XrefsDatabases
30776710ChemSpider
HMDB0013327HMDB