CHEBI:89995 - PC(O-22:2(13Z,16Z)/22:3(10Z,13Z,16Z))

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ChEBI Name PC(O-22:2(13Z,16Z)/22:3(10Z,13Z,16Z))
ChEBI ID CHEBI:89995
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C52H96NO7P
C52H96NO7P
Net Charge 0
Average Mass 878.297
Monoisotopic Mass 877.69244
InChI InChI=1S/C52H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-47-57-49-51(50-59-61(55,56)58-48-46-53(3,4)5)60-52(54)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,27,29,51H,6-13,18-19,24-26,28,30-50H2,1-5H3/b16-14-,17-15-,22-20-,23-21-,29-27-/t51-/m1/s1
InChIKey CEZAZXUWDFPTTE-FHIJIHMSSA-N
SMILES O(C[C@](COP([O-])(=O)OCC[N+](C)(C)C)(OC(CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)[H])CCCCCCCCCCCC/C=C\C/C=C\CCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in saliva (UBERON:0001836). See: Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation)
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 O-44:5 )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing PC(O-22:2(13Z,16Z)/22:3(10Z,13Z,16Z)) (CHEBI:89995) is a glycerophosphocholine (CHEBI:36313)
PC(O-22:2(13Z,16Z)/22:3(10Z,13Z,16Z)) (CHEBI:89995) is a PC(O-22:2/22:3) (CHEBI:140864)
IUPAC Name
(2-{[(2R)-2-[(10Z,13Z,16Z)-docosa-10,13,16-trienoyloxy]-3-[(13Z,16Z)-docosa-13,16-dien-1-yloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
Synonyms Sources
1-Docosadienyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycero-3-phosphocholine HMDB
GPCho(22:2/22:3) HMDB
GPCho(22:2n6/22:3n6) HMDB
GPCho(22:2w6/22:3w6) HMDB
GPCho(44:5) HMDB
Lecithin HMDB
PC ae C44:5 HMDB
PC(22:2/22:3) HMDB
PC(22:2n6/22:3n6) HMDB
PC(22:2w6/22:3w6) HMDB
PC(44:5) HMDB
PC(O-44:5) HMDB
Phosphatidylcholine(22:2/22:3) HMDB
Phosphatidylcholine(22:2n6/22:3n6) HMDB
Phosphatidylcholine(22:2w6/22:3w6) HMDB
Phosphatidylcholine(44:5) HMDB
Manual Xref Database
HMDB0013456 HMDB
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Last Modified
29 May 2018