PC(o-22:0/18:3(6Z,9Z,12Z)) (CHEBI:89854)

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CHEBI:89854 - PC(o-22:0/18:3(6Z,9Z,12Z))

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ChEBI ID	CHEBI:89854
ChEBI Name	PC(o-22:0/18:3(6Z,9Z,12Z))
Stars
Downloads	Molfile

Formula	C48H92NO7P
Net Charge	0
Average Mass	826.238
Monoisotopic Mass	825.66114
SMILES	[H][C@@](COCCCCCCCCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\CCCCC
InChI	InChI=1S/C48H92NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-28-30-32-34-36-38-40-43-53-45-47(46-55-57(51,52)54-44-42-49(3,4)5)56-48(50)41-39-37-35-33-31-29-27-21-19-17-15-13-11-9-7-2/h15,17,21,27,31,33,47H,6-14,16,18-20,22-26,28-30,32,34-46H2,1-5H3/b17-15-,27-21-,33-31-/t47-/m1/s1
InChIKey	WEFAHDSLMVUAHQ-GEVWEYGMSA-N

Species of Metabolite	Component	Source	Comments
Homo sapiens (ncbitaxon:9606)	urine (BTO:0001419)	PubMed (24023812)

ChEBI Ontology

Outgoing Relation(s)
	PC(o-22:0/18:3(6Z,9Z,12Z)) (CHEBI:89854) is a glycerophosphocholine (CHEBI:36313)

Synonyms	Source
1-Behenyl-2-gamma-linolenoyl-sn-glycero-3-phosphocholine	HMDB
1-Behenyl-2-g-linolenoyl-sn-glycero-3-phosphocholine	HMDB
(2-{[(2R)-3-(docosyloxy)-2-[(6Z,9Z,12Z)-octadeca-6,9,12-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium	HMDB
GPCho(22:0/18:3)	HMDB
GPCho(22:0/18:3n6)	HMDB
GPCho(22:0/18:3w6)	HMDB

Manual Xrefs	Databases
HMDB0013445	HMDB

Citations