PC(P-18:0/20:3(5Z,8Z,11Z)) (CHEBI:89956)

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CHEBI:89956 - PC(P-18:0/20:3(5Z,8Z,11Z))

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ChEBI ID	CHEBI:89956
ChEBI Name	PC(P-18:0/20:3(5Z,8Z,11Z))
Stars
Downloads	Molfile

Formula	C46H86NO7P
Net Charge	0
Average Mass	796.168
Monoisotopic Mass	795.61419
SMILES	[H][C@@](CO/C=C\CCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
InChI	InChI=1S/C46H86NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h20,22,25,27,31,33,38,41,45H,6-19,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b22-20-,27-25-,33-31-,41-38-/t45-/m1/s1
InChIKey	GDXHWAGFLXXWJB-FJXNGXPBSA-N

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

ChEBI Ontology

Outgoing Relation(s)
	PC(P-18:0/20:3(5Z,8Z,11Z)) (CHEBI:89956) is a glycerophosphocholine (CHEBI:36313)

Synonyms	Source
GPCho(18:0/20:3)	HMDB
GPCho(18:0/20:3n9)	HMDB
Phosphatidylcholine(18:0/20:3n9)	HMDB
GPCho(18:0/20:3w9)	HMDB
PC(38:3)	HMDB
Lecithin	HMDB

Manual Xrefs	Databases
HMDB0011251	HMDB

Citations