3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide (CHEBI:183880)

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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	3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide

ChEBI ID	CHEBI:183880

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C26H52NO8P

Net Charge

Average Mass

537.675

Monoisotopic Mass

537.34305

InChI

InChI=1S/C26H52NO8P/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(29)32-22-25(35-24(2)28)23-34-36(30,31)33-21-20-27(3,4)5/h25H,6-23H2,1-5H3

InChIKey

XPAXRSJGGFVTFM-UHFFFAOYSA-N

SMILES

P(OCC[N+](C)(C)C)(OCC(OC(=O)C)COC(=O)CCCCCCCCCCCCCCC)([O-])=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in small intestine (BTO:0000651). of strain C57BL/6 Mouse [THESAURUS.OWL#C14424] See: MetaboLights Study
Nippostrongylus brasiliensis (NCBI:txid27835)	Found in Whole Organism (THESAURUS.OWL#C13413). See: MetaboLights Study

ChEBI Ontology
Outgoing	3,5,9-Trioxa-4-phosphapentacosan-1-aminium, 7-(acetyloxy)-4-hydroxy-N,N,N-trimethyl-10-oxo-, inner salt, 4-oxide (CHEBI:183880) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)

IUPAC Name

(2-acetyloxy-3-hexadecanoyloxypropyl) 2-(trimethylazaniumyl)ethyl phosphate