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CHEBI:89294 - PC(20:3(8Z,11Z,14Z)/22:1(13Z))

ChEBI IDCHEBI:89294
ChEBI NamePC(20:3(8Z,11Z,14Z)/22:1(13Z))
Stars
DownloadsMolfile
FormulaC50H92NO8P
Net Charge0
Average Mass866.259
Monoisotopic Mass865.65606
SMILES[H][C@@](COC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC/C=C\CCCCCCCC
InChIInChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-43-50(53)59-48(47-58-60(54,55)57-45-44-51(3,4)5)46-56-49(52)42-40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,28,30,48H,6-14,16,18-19,24-27,29,31-47H2,1-5H3/b17-15-,22-20-,23-21-,30-28-/t48-/m1/s1
InChIKeyHILDKBKUEBHUIK-LEGLZOIHSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
urine (BTO:0001419) PubMed (24023812)
saliva (UBERON:0001836) Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation))
ChEBI Ontology
Outgoing Relation(s)
PC(20:3(8Z,11Z,14Z)/22:1(13Z)) (CHEBI:89294) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms  Source
1-Homo-gamma-linolenoyl-2-erucoyl-sn-glycero-3-phosphocholineHMDB
GPCho(20:3/22:1)HMDB
PC(42:4)HMDB
GPCho(20:3n6/22:1n9)HMDB
(2-{[(2R)-2-[(13Z)-docos-13-enoyloxy]-3-[(8Z,11Z,14Z)-icosa-8,11,14-trienoyloxy]propyl phosphonato]oxy}ethyl)trimethylazaniumHMDB
Phosphatidylcholine(20:3n6/22:1n9)HMDB
Manual XrefsDatabases
PHOSPHATIDYLCHOLINEMetaCyc
HMDB0008414HMDB
LecithinWikipedia
Citations