CHEBI:86177 - 1-octadecanoyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine

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ChEBI Name 1-octadecanoyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:86177
ChEBI ASCII Name 1-octadecanoyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 38:3 in which the acyl groups specified at positions 1 and 2 are octadecanoyl and (8Z,11Z,14Z)-eicosatrienoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C46H86NO8P
Net Charge 0
Average Mass 812.15070
Monoisotopic Mass 811.60911
InChI InChI=1S/C46H86NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h14,16,20,22,25,27,44H,6-13,15,17-19,21,23-24,26,28-43H2,1-5H3/b16-14-,22-20-,27-25-/t44-/m1/s1
InChIKey VGSUMLIRUGDCTF-NSMRCOLJSA-N
SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCC\C=C/C\C=C/C\C=C/CCCCC
Roles Classification
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via phosphatidylcholine 38:3 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-octadecanoyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86177) has functional parent all-cis-icosa-8,11,14-trienoic acid (CHEBI:53486)
1-octadecanoyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86177) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-[(8Z,11Z,14Z)-eicosatrienoyl]-sn-glycero-3-phosphocholine (CHEBI:86177) is a 1-stearoyl-2-icosatrienoyl-sn-glycero-3-phosphocholine (CHEBI:133633)
IUPAC Name
(2R)-2-{[(8Z,11Z,14Z)-icosa-8,11,14-trienoyl]oxy}-3-(octadecanoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-Stearoyl-2-homo-gamma-linolenoyl-sn-glycero-3-phosphocholine HMDB
GPCho(18:0/20:3) HMDB
GPCho(18:0/20:3n6) HMDB
GPCho(18:0/20:3w6) HMDB
PC(18:0/20:3(8Z,11Z,14Z)) LIPID MAPS
PC(18:0/20:3) HMDB
PC(18:0/20:3n6) HMDB
PC(18:0/20:3w6) HMDB
Phosphatidylcholine(18:0/20:3) HMDB
Phosphatidylcholine(18:0/20:3n6) HMDB
Phosphatidylcholine(18:0/20:3w6) HMDB
Manual Xrefs Databases
HMDB0008047 HMDB
LMGP01010799 LIPID MAPS
View more database links
Last Modified
05 October 2016