EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:86121 - 1-hexadecanoyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine

ChEBI IDCHEBI:86121
ChEBI Name1-hexadecanoyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
Stars
ASCII Name1-hexadecanoyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
DefinitionA phosphatidylcholine 36:3 in which the acyl group specified at positions 1 and 2 are hexadecanoyl and (8Z,11Z,14Z)-eicosatrienoyl respectively.
Last Modified12 June 2017
Submitternamrata
DownloadsMolfile
FormulaC44H82NO8P
Net Charge0
Average Mass784.113
Monoisotopic Mass783.57781
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)([O-])OCC[N+](C)(C)C
InChIInChI=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/h14,16,20-21,23,25,42H,6-13,15,17-19,22,24,26-41H2,1-5H3/b16-14-,21-20-,25-23-/t42-/m1/s1
InChIKeySRIGHEHXEGELQJ-YYQUKWHJSA-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-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86121) has functional parent all-cis-icosa-8,11,14-trienoic acid (CHEBI:53486)
1-hexadecanoyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86121) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86121) is a 1-palmitoyl-2-icosatrienoyl-sn-glycero-3-phosphocholine (CHEBI:133631)
IUPAC Name 
(2R)-3-(hexadecanoyloxy)-2-{[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy}propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms  Source
PC(16:0/20:3(8Z,11Z,14Z))LIPID MAPS
GPCho(16:0/20:3)HMDB
Phosphatidylcholine(16:0/20:3n6)HMDB
Phosphatidylcholine(16:0/20:3w6)HMDB
GPCho(16:0/20:3w6)HMDB
GPCho(16:0/20:3n6)HMDB
UniProt Name  Source
1-hexadecanoyl-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phosphocholineUniProt
Manual XrefsDatabases
LMGP01010627LIPID MAPS
HMDB0007981HMDB