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CHEBI:89954 - PC(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:89954
ChEBI NamePC(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z))
Stars
DownloadsMolfile
FormulaC46H82NO7P
Net Charge0
Average Mass792.136
Monoisotopic Mass791.58289
SMILES[H][C@@](CO/C=C\CCCCCCCCCCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C46H82NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-46(48)54-45(44-53-55(49,50)52-42-40-47(3,4)5)43-51-41-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,25,27,31,33,38,41,45H,6-7,9,11-13,15,17-19,21,23-24,26,28-30,32,34-37,39-40,42-44H2,1-5H3/b10-8-,16-14-,22-20-,27-25-,33-31-,41-38-/t45-/m1/s1
InChIKeyJUCWIWDODRNWRN-REKGFNPQSA-N
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(P-18:0/20:5(5Z,8Z,11Z,14Z,17Z)) (CHEBI:89954) is a glycerophosphocholine (CHEBI:36313)
Synonyms  Source
PC(18:0/20:5)HMDB
PC aa C38:5HMDB
GPCho(18:0/20:5w3)HMDB
PC(38:5)HMDB
LecithinHMDB
PC(18:0/20:5n3)HMDB
Manual XrefsDatabases
HMDB0011255HMDB
Citations