PC(20:4(5Z,8Z,11Z,14Z)/32:0) (CHEBI:196440)

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CHEBI:196440 - PC(20:4(5Z,8Z,11Z,14Z)/32:0)

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ChEBI ID	CHEBI:196440
ChEBI Name	PC(20:4(5Z,8Z,11Z,14Z)/32:0)
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C60H112NO8P
Net Charge	0
Average Mass	1006.529
Monoisotopic Mass	1005.81256
SMILES	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
InChI	InChI=1S/C60H112NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-37-39-41-43-45-47-49-51-53-60(63)69-58(57-68-70(64,65)67-55-54-61(3,4)5)56-66-59(62)52-50-48-46-44-42-40-38-36-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,38,40,44,46,58H,6-14,16,18-20,22,24-37,39,41-43,45,47-57H2,1-5H3/b17-15-,23-21-,40-38-,46-44-/t58-/m1/s1
InChIKey	PBQWGXZOHSXMOH-ROEYWWOSSA-N

ChEBI Ontology

Outgoing Relation(s)
	PC(20:4(5Z,8Z,11Z,14Z)/32:0) (CHEBI:196440) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)

IUPAC Name
[(2R)-2-dotriacontanoyloxy-3-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

Manual Xrefs	Databases
24822659	ChemSpider
LMGP01011055	LIPID MAPS