PC(4:0/4:0) (CHEBI:186468)

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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(4:0/4:0)

ChEBI ID	CHEBI:186468

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C16H32NO8P

Net Charge

Average Mass

397.405

Monoisotopic Mass

397.18655

InChI

InChI=1S/C16H32NO8P/c1-6-8-15(18)22-12-14(25-16(19)9-7-2)13-24-26(20,21)23-11-10-17(3,4)5/h14H,6-13H2,1-5H3/t14-/m1/s1

InChIKey

QIJYAMAPPUXBSC-CQSZACIVSA-N

SMILES

P(OCC[N+](C)(C)C)(OC[C@H](OC(=O)CCC)COC(=O)CCC)([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(4:0/4:0) (CHEBI:186468) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)

IUPAC Name

[(2R)-2,3-di(butanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate

Registry Number	Type	Source
3355-26-8	CAS Registry Number	ChemIDplus