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

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

ChEBI ID	CHEBI:177694

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information	ChemicalBook:CB9303076, eMolecules:484848, ZINC000000002054

Download	Molfile XML SDF

Formula

C12H25NO5

Net Charge

Average Mass

263.334

Monoisotopic Mass

263.17327

InChI

InChI=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

InChIKey

PSRQDLCMEPQOQH-YZRBJQDESA-N

SMILES

O([C@H](C[N+](C)(C)C)CC([O-])=O)C(O)CC(O)CC

Metabolite of Species	Details
Sus scrofa (NCBI:txid9823)	Found in sausage (ENVO:00002166). See: MetaboLights Study

ChEBI Ontology
Outgoing	(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