PC(o-20:0/18:3(9Z,12Z,15Z)) (CHEBI:89852)

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CHEBI:89852 - PC(o-20:0/18:3(9Z,12Z,15Z))

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ChEBI ID	CHEBI:89852
ChEBI Name	PC(o-20:0/18:3(9Z,12Z,15Z))
Stars
Downloads	Molfile

Formula	C46H88NO7P
Net Charge	0
Average Mass	798.184
Monoisotopic Mass	797.62984
SMILES	[H][C@@](COCCCCCCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
InChI	InChI=1S/C46H88NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-26-28-30-32-34-36-38-41-51-43-45(44-53-55(49,50)52-42-40-47(3,4)5)54-46(48)39-37-35-33-31-29-27-25-21-19-17-15-13-11-9-7-2/h9,11,15,17,21,25,45H,6-8,10,12-14,16,18-20,22-24,26-44H2,1-5H3/b11-9-,17-15-,25-21-/t45-/m1/s1
InChIKey	APWUUZRAVVATRC-GBRUYZQDSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)
	urine (BTO:0001419)	PubMed (24023812)
	saliva (UBERON:0001836)	Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation))

ChEBI Ontology

Outgoing Relation(s)
	PC(o-20:0/18:3(9Z,12Z,15Z)) (CHEBI:89852) is a 1-(1,2-saturated-acyl)-2-acyl-sn-glycerolipid (CHEBI:167498)
	PC(o-20:0/18:3(9Z,12Z,15Z)) (CHEBI:89852) is a glycerophosphocholine (CHEBI:36313)

Synonyms	Source
(2-{[(2R)-3-(icosyloxy)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium	HMDB
PC(20:0/18:3)	HMDB
Lecithin	HMDB
GPCho(20:0/18:3)	HMDB
Phosphatidylcholine(20:0/18:3)	HMDB
PC ae C38:3	HMDB

Manual Xrefs	Databases
HMDB0013440	HMDB

Citations