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CHEBI:88729 - PC(22:1(13Z)/20:3(8Z,11Z,14Z))

ChEBI IDCHEBI:88729
ChEBI NamePC(22:1(13Z)/20:3(8Z,11Z,14Z))
Stars
DownloadsMolfile
FormulaC50H92NO8P
Net Charge0
Average Mass866.259
Monoisotopic Mass865.65606
SMILES[H][C@@](COC(=O)CCCCCCCCCCC/C=C\CCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C50H92NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-28-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-29-26-23-21-19-17-15-13-11-9-7-2/h15,17,20-23,29,31,48H,6-14,16,18-19,24-28,30,32-47H2,1-5H3/b17-15-,22-20-,23-21-,31-29-/t48-/m1/s1
InChIKeyJPJFWRWQZROHJW-RSPSYKHISA-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(22:1(13Z)/20:3(8Z,11Z,14Z)) (CHEBI:88729) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms  Source
PC(22:1w9/20:3w6)HMDB
GPCho(42:4)HMDB
PC aa C42:4HMDB
PC(22:1/20:3)HMDB
1-Erucoyl-2-homo-g-linolenoyl-sn-glycero-3-phosphocholineHMDB
Phosphatidylcholine(22:1/20:3)HMDB
Manual XrefsDatabases
HMDB0008573HMDB
LecithinWikipedia
PHOSPHATIDYLCHOLINEMetaCyc
Citations