CHEBI:84565 - 1-octadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-octadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:84565
ChEBI ASCII Name 1-octadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 40:4 in which the two acyl substituents at positions 1 and 2 are specified as stearoyl and (7Z,10Z,13Z,16Z)-docosatetraenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C48H88NO8P
Net Charge 0
Average Mass 838.18800
Monoisotopic Mass 837.62476
InChI InChI=1S/C48H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h14,16,20,22,24-25,29,31,46H,6-13,15,17-19,21,23,26-28,30,32-45H2,1-5H3/b16-14-,22-20-,25-24-,31-29-/t46-/m1/s1
InChIKey AXZGUCXCTZMPTR-UVGACIQRSA-N
SMILES CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCC\C=C/C\C=C/C\C=C/C\C=C/CCCCC
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: MetaboLights Study
Roles Classification
Biological Role(s): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via phosphatidylcholine 40:4 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-octadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphocholine (CHEBI:84565) has functional parent all-cis-docosa-7,10,13,16-tetraenoic acid (CHEBI:53487)
1-octadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphocholine (CHEBI:84565) has functional parent octadecanoic acid (CHEBI:28842)
1-octadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphocholine (CHEBI:84565) has role mouse metabolite (CHEBI:75771)
1-octadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphocholine (CHEBI:84565) is a phosphatidylcholine 40:4 (CHEBI:66862)
IUPAC Name
(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-(octadecanoyloxy)propyl 2-(trimethylammonio)ethyl phosphate
Synonyms Sources
1-stearoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycero-3-phosphocholine ChEBI
1-Stearoyl-2-adrenoyl-sn-glycero-3-phosphocholine HMDB
GPCho(18:0/22:4) HMDB
GPCho(18:0/22:4n6) HMDB
GPCho(18:0/22:4w6) HMDB
PC(18:0/22:4(7Z,10Z,13Z,16Z)) LIPID MAPS
PC(18:0/22:4) HMDB
PC(18:0/22:4) LIPID MAPS
PC(18:0/22:4n6) HMDB
PC(18:0/22:4w6) HMDB
Phosphatidylcholine(18:0/22:4) HMDB
Phosphatidylcholine(18:0/22:4n6) HMDB
Phosphatidylcholine(18:0/22:4w6) HMDB
Manual Xrefs Databases
HMDB0008054 HMDB
LMGP01010813 LIPID MAPS
View more database links
Last Modified
23 October 2015