CHEBI:74963 - 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:74963
ChEBI ASCII Name 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine
Definition A phosphatidylcholine 38:6 in which the acyl groups at C-1 and C-2 are specified as hexadecanoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Secondary ChEBI IDs CHEBI:73800
Supplier Information
Download Molfile XML SDF
Formula C46H80NO8P
Net Charge 0
Average Mass 806.10310
Monoisotopic Mass 805.56216
InChI InChI=1S/C46H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h8,10,14,16,20-21,23-24,27,29,33,35,44H,6-7,9,11-13,15,17-19,22,25-26,28,30-32,34,36-43H2,1-5H3/b10-8-,16-14-,21-20-,24-23-,29-27-,35-33-/t44-/m1/s1
InChIKey IESVDEZGAHUQJU-ZLBXKVHBSA-N
SMILES CCCCCCCCCCCCCCCC(=O)OC[C@H](COP([O-])(=O)OCC[N+](C)(C)C)OC(=O)CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CC
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 38:6 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine (CHEBI:74963) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine (CHEBI:74963) has functional parent hexadecanoic acid (CHEBI:15756)
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine (CHEBI:74963) has role mouse metabolite (CHEBI:75771)
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine (CHEBI:74963) is a phosphatidylcholine 38:6 (CHEBI:64519)
IUPAC Name
(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-(palmitoyloxy)propyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
1-C16:0-2-C22:6(ω-3)-phosphatidylcholine SUBMITTER
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphocholine SUBMITTER
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine UniProt
1-palmitoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphocholine ChEBI
1-palmitoyl-2-docosahexaenoyl-GPC ChEBI
1-palmitoyl-2-docosahexaenoyl-GPC (16:0/22:6) ChEBI
1-Palmitoyl-2-docosahexaenoyl-sn-glycero-3-phosphocholine LIPID MAPS
1-Palmitoyl-2-docosahexaenoylphosphatidylcholine ChemIDplus
GPC(16:0/22:6) ChEBI
PC(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)) LIPID MAPS
PC(16:0/22:6) HMDB
PC(16:0/22:6) LIPID MAPS
PC(16:0/22:6ω3) HMDB
PC(38:6) HMDB
Phosphatidylcholine(16:0/22:6) HMDB
Phosphatidylcholine(16:0/22:6ω3) HMDB
Phosphatidylcholine(38:6) HMDB
Manual Xrefs Databases
HMDB0007991 HMDB
LMGP01010652 LIPID MAPS
View more database links
Registry Numbers Types Sources
59403-54-2 CAS Registry Number ChemIDplus
9466294 Reaxys Registry Number Reaxys
Last Modified
05 October 2016