PC(24:1(15Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) (CHEBI:231142)

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CHEBI:231142 - PC(24:1(15Z)/20:4(6E,8Z,11Z,14Z)+=O(5))

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ChEBI ID	CHEBI:231142
ChEBI Name	PC(24:1(15Z)/20:4(6E,8Z,11Z,14Z)+=O(5))
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C52H92NO9P
Net Charge	0
Average Mass	906.280
Monoisotopic Mass	905.65097
SMILES	CCCCC/C=C\C/C=C\C/C=C\C=C\C(=O)CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChI	InChI=1S/C52H92NO9P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-29-31-33-35-37-39-43-51(55)59-47-50(48-61-63(57,58)60-46-45-53(3,4)5)62-52(56)44-40-42-49(54)41-38-36-34-32-30-28-19-17-15-13-11-9-7-2/h15,17,20-21,28,30,34,36,38,41,50H,6-14,16,18-19,22-27,29,31-33,35,37,39-40,42-48H2,1-5H3/b17-15-,21-20-,30-28-,36-34-,41-38+/t50-/m1/s1
InChIKey	OPDYBVVAJQIHBQ-AKCSJJRCSA-N

Species of Metabolite	Component	Source	Comments
Mus musculus (ncbitaxon:10090)	feces (BTO:0000440)	MetaboLights (MTBLS9100)

ChEBI Ontology

Outgoing Relation(s)
	PC(24:1(15Z)/20:4(6E,8Z,11Z,14Z)+=O(5)) (CHEBI:231142) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)

IUPAC Name
[(2R)-2-[(6E,8Z,11Z,14Z)-5-oxoicosa-6,8,11,14-tetraenoyl]oxy-3-[(Z)-tetracos-15-enoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Manual Xrefs	Databases
HMDB0288744	HMDB