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

ChEBI IDCHEBI:89995
ChEBI NamePC(O-22:2(13Z,16Z)/22:3(10Z,13Z,16Z))
Stars
Last Modified29 May 2018
DownloadsMolfile
FormulaC52H96NO7P
Net Charge0
Average Mass878.314
Monoisotopic Mass877.69244
SMILES[H][C@@](COCCCCCCCCCCCC/C=C\C/C=C\CCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=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
InChIKeyCEZAZXUWDFPTTE-FHIJIHMSSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) saliva (UBERON:0001836) Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation))
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
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  Source
1-Docosadienyl-2-(10Z,13Z,16Z-docosatrienoyl)-sn-glycero-3-phosphocholineHMDB
PC(22:2w6/22:3w6)HMDB
PC(22:2n6/22:3n6)HMDB
PC(O-44:5)HMDB
Phosphatidylcholine(22:2n6/22:3n6)HMDB
LecithinHMDB
Manual XrefsDatabases
HMDB0013456HMDB