PC(4:0/0:0) (CHEBI:168614)

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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(4:0/0:0)

ChEBI ID	CHEBI:168614

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H26NO7P

Net Charge

Average Mass

327.314

Monoisotopic Mass

327.14469

InChI

InChI=1S/C12H26NO7P/c1-5-6-12(15)18-9-11(14)10-20-21(16,17)19-8-7-13(2,3)4/h11,14H,5-10H2,1-4H3/t11-/m1/s1

InChIKey

YOLSCEBOFNSEKU-LLVKDONJSA-N

SMILES

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

Metabolite of Species	Details
Malus domestica (NCBI:txid3750)	Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study

Roles Classification
Biological Role(s):	human metabolite Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens). (via lysophosphatidylcholine )

ChEBI Ontology
Outgoing	PC(4:0/0:0) (CHEBI:168614) is a 1-O-acyl-sn-glycero-3-phosphocholine (CHEBI:58168)

IUPAC Name

[(2R)-3-butanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate