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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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

ChEBI ID	CHEBI:177729

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C19H35NO6

Net Charge

Average Mass

373.490

Monoisotopic Mass

373.24644

InChI

InChI=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

InChIKey

VJPIDPQNAYWULC-INIZCTEOSA-N

SMILES

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

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

ChEBI Ontology
Outgoing	(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