PC(32:0/20:4(5Z,8Z,11Z,14Z)) (CHEBI:196439)

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CHEBI:196439 - PC(32:0/20:4(5Z,8Z,11Z,14Z))

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ChEBI ID	CHEBI:196439
ChEBI Name	PC(32:0/20:4(5Z,8Z,11Z,14Z))
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)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChI	InChI=1S/C60H112NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-26-27-28-29-30-31-32-33-34-35-37-38-40-42-44-46-48-50-52-59(62)66-56-58(57-68-70(64,65)67-55-54-61(3,4)5)69-60(63)53-51-49-47-45-43-41-39-36-23-21-19-17-15-13-11-9-7-2/h15,17,21,23,39,41,45,47,58H,6-14,16,18-20,22,24-38,40,42-44,46,48-57H2,1-5H3/b17-15-,23-21-,41-39-,47-45-/t58-/m1/s1
InChIKey	CMLLLFPSZMHYRA-RZTSQQFOSA-N

ChEBI Ontology

Outgoing Relation(s)
	PC(32:0/20:4(5Z,8Z,11Z,14Z)) (CHEBI:196439) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)

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

Manual Xrefs	Databases
LMGP01011217	LIPID MAPS
24822784	ChemSpider