1-hexadecanoyl-2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86119)

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CHEBI:86119 - 1-hexadecanoyl-2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phosphocholine

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ChEBI ID	CHEBI:86119
ChEBI Name	1-hexadecanoyl-2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name	1-hexadecanoyl-2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phosphocholine
Definition	A phosphatidylcholine 36:3 in which the acyl groups at positions 1 and 2 are specified as hexadecanoyl and (5Z,8Z,11Z)-icosatrienoyl respectively.
Last Modified	12 June 2017
Submitter	namrata
Downloads	Molfile

Formula	C44H82NO8P
Net Charge	0
Average Mass	784.113
Monoisotopic Mass	783.57781
SMILES	CCCCCCCC/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChI	InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h20-21,23,25,29,31,42H,6-19,22,24,26-28,30,32-41H2,1-5H3/b21-20-,25-23-,31-29-/t42-/m1/s1
InChIKey	XMZFUVYOYPLVOA-VLHUWQDUSA-N

Roles Classification

Biological Role:

metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.

ChEBI Ontology

Outgoing Relation(s)
	1-hexadecanoyl-2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86119) has functional parent (5Z,8Z,11Z)-icosatrienoic acid (CHEBI:72865)
	1-hexadecanoyl-2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86119) has functional parent hexadecanoic acid (CHEBI:15756)
	1-hexadecanoyl-2-[(5Z,8Z,11Z)-icosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86119) is a 1-palmitoyl-2-icosatrienoyl-sn-glycero-3-phosphocholine (CHEBI:133631)

IUPAC Name
(2R)-3-(hexadecanoyloxy)-2-{[(5Z,8Z,11Z)-icosa-5,8,11-trienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate

Synonyms	Source
1-hexadecanoyl-2-[(5Z,8Z,11Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine	ChEBI
1-palmitoyl-2-meadoyl-GPC	ChEBI
1-palmitoyl-2-meadoyl-GPC (16:0/20:3n9)	ChEBI
1-Palmitoyl-2-meadoyl-sn-glycero-3-phosphocholine	HMDB
GPC(16:0/20:3n9)	ChEBI
GPCho(16:0/20:3)	HMDB

UniProt Name	Source
1-hexadecanoyl-2-(5Z,8Z,11Z-eicosatrienoyl)-sn-glycero-3-phosphocholine	UniProt

Manual Xrefs	Databases
HMDB0007980	HMDB
LMGP01010622	LIPID MAPS

Citations