1-O-hexadecyl-2-arachidonoyl-sn-glycero-3-phosphocholine (CHEBI:55430)

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CHEBI:55430 - 1-O-hexadecyl-2-arachidonoyl-sn-glycero-3-phosphocholine

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ChEBI ID	CHEBI:55430
ChEBI Name	1-O-hexadecyl-2-arachidonoyl-sn-glycero-3-phosphocholine
Stars
ASCII Name	1-O-hexadecyl-2-arachidonoyl-sn-glycero-3-phosphocholine
Definition	A 1-O-alkyl-2-O-arachidonoyl-sn-glycero-3-phosphocholine where the alkyl group is specified as hexadecyl.
Secondary ChEBI IDs	CHEBI:75269, CHEBI:86505
Last Modified	6 March 2017
Submitter	laimo, namrata, Steve
Downloads	Molfile

Formula	C44H82NO7P
Net Charge	0
Average Mass	768.114
Monoisotopic Mass	767.58289
SMILES	CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H](COCCCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChI	InChI=1S/C44H82NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,43H,6-13,15,17-19,21,23,26-28,30,32-42H2,1-5H3/b16-14-,22-20-,25-24-,31-29-/t43-/m1/s1
InChIKey	DUUSFCFZBREELS-WWBBCYQPSA-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-O-hexadecyl-2-arachidonoyl-sn-glycero-3-phosphocholine (CHEBI:55430) is a 1-O-alkyl-2-O-arachidonoyl-sn-glycero-3-phosphocholine (CHEBI:28894)
	1-O-hexadecyl-2-arachidonoyl-sn-glycero-3-phosphocholine (CHEBI:55430) is a phosphatidylcholine O-36:4 (CHEBI:67064)

IUPAC Names
(2R)-3-(hexadecyloxy)-2-{[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
(2R)-3-(hexadecyloxy)-2-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoyloxy]propyl 2-(trimethylammonio)ethyl phosphate

Synonyms	Source
1-O-hexadecyl-2-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-sn-glycero-3-phosphocholine	SUBMITTER
1-O-hexadecyl-2-arachidonoyl-sn-glycero-3-phosphocholine	SUBMITTER
1-O-hexadecyl-2-arachidonoyl-sn-phosphatidylcholine	SUBMITTER
PC 1-O-16:0/20:4(n-6)	SUBMITTER
PC(O-16:0/20:4(5Z,8Z,11Z,14Z))	LIPID MAPS
PC(O-16:0/20:4)	LIPID MAPS

UniProt Name	Source
1-O-hexadecyl-2-(5Z,8Z,11Z,14Z)-eicosatetraenoyl-sn-glycero-3-phosphocholine	UniProt

Manual Xrefs	Databases
LMGP01020056	LIPID MAPS
LMGP01020056	LIPID MAPS

Registry Numbers	Sources
Beilstein:7242477	Beilstein
Reaxys:7242477	Reaxys
CAS:86288-11-1	ChemIDplus