CHEBI:76085 - 2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphocholine

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ChEBI Name 2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphocholine
ChEBI ID CHEBI:76085
ChEBI ASCII Name 2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphocholine
Definition A lysophosphatidylcholine 22:6 in which the acyl group is specified as (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl and is located at position 2.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C30H50NO7P
Net Charge 0
Average Mass 567.69430
Monoisotopic Mass 567.33249
InChI InChI=1S/C30H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-30(33)38-29(27-32)28-37-39(34,35)36-26-25-31(2,3)4/h6-7,9-10,12-13,15-16,18-19,21-22,29,32H,5,8,11,14,17,20,23-28H2,1-4H3/b7-6-,10-9-,13-12-,16-15-,19-18-,22-21-/t29-/m1/s1
InChIKey FTLVGMFFHDRYDI-APPDJCNMSA-N
SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C\C=C/CCC(=O)O[C@H](CO)COP([O-])(=O)OCC[N+](C)(C)C
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 lysophosphatidylcholine 22:6 )
human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via lysophosphatidylcholine )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphocholine (CHEBI:76085) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycero-3-phosphocholine (CHEBI:76085) is a 2-docosahexaenoyl-sn-glycero-3-phosphocholine (CHEBI:131987)
IUPAC Name
(2R)-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoyloxy]-3-hydroxypropyl 2-(trimethylazaniumyl)ethyl phosphate
Synonyms Sources
2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycero-3-phosphocholine UniProt
2-docosahexaenoyllysophosphatidylcholine SUBMITTER
LPC[0:0/22:6(ω-3)] SUBMITTER
Last Modified
28 September 2016