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CHEBI:177694 - (3S)-3-[(1,3-Dihydroxypentyl)oxy]-4-(trimethylammonio)butanoate

ChEBI IDCHEBI:177694
ChEBI Name(3S)-3-[(1,3-Dihydroxypentyl)oxy]-4-(trimethylammonio)butanoate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H25NO5
Net Charge0
Average Mass263.334
Monoisotopic Mass263.17327
SMILESCCC(O)CC(O)O[C@@H](CC(=O)[O-])C[N+](C)(C)C
InChIInChI=1S/C12H25NO5/c1-5-9(14)6-12(17)18-10(7-11(15)16)8-13(2,3)4/h9-10,12,14,17H,5-8H2,1-4H3/t9?,10-,12?/m0/s1
InChIKeyPSRQDLCMEPQOQH-YZRBJQDESA-N
Species of MetaboliteComponentSourceComments
Sus scrofa (ncbitaxon:9823) sausage (ENVO:00002166) MetaboLights (MTBLS2871)
ChEBI Ontology
Outgoing Relation(s)
(3S)-3-[(1,3-Dihydroxypentyl)oxy]-4-(trimethylammonio)butanoate (CHEBI:177694) is a fatty acid derivative (CHEBI:61697)
IUPAC Name 
(3S)-3-(1,3-dihydroxypentoxy)-4-(trimethylazaniumyl)butanoate
Manual XrefsDatabases
35032580ChemSpider
HMDB0013132HMDB