PC(O-12:0/O-1:0) (CHEBI:187453)

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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	PC(O-12:0/O-1:0)

ChEBI ID	CHEBI:187453

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C21H46NO6P

Net Charge

Average Mass

439.574

Monoisotopic Mass

439.30628

InChI

InChI=1S/C21H46NO6P/c1-6-7-8-9-10-11-12-13-14-15-17-26-19-21(25-5)20-28-29(23,24)27-18-16-22(2,3)4/h21H,6-20H2,1-5H3/t21-/m1/s1

InChIKey

CVTCBGUQBZQGEG-OAQYLSRUSA-N

SMILES

P(OCC[N+](C)(C)C)(OC[C@H](OC)COCCCCCCCCCCCC)([O-])=O

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study

ChEBI Ontology
Outgoing	PC(O-12:0/O-1:0) (CHEBI:187453) is a ether lipid (CHEBI:64611) PC(O-12:0/O-1:0) (CHEBI:187453) is a glycerophosphocholine (CHEBI:36313)

IUPAC Name

[(2R)-3-dodecoxy-2-methoxypropyl] 2-(trimethylazaniumyl)ethyl phosphate