CHEBI:89460 - PC(P-18:1(9Z)/18:4(6Z,9Z,12Z,15Z))

ChEBI IDCHEBI:89460
ChEBI NamePC(P-18:1(9Z)/18:4(6Z,9Z,12Z,15Z))
Stars
DownloadsMolfile
FormulaC44H78NO7P
Net Charge0
Average Mass764.082
Monoisotopic Mass763.55159
SMILES[H][C@@](CO/C=C\CCCCCC/C=C\CCCCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C44H78NO7P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39-49-41-43(42-51-53(47,48)50-40-38-45(3,4)5)52-44(46)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h9,11,15,17,20-23,27,29,36,39,43H,6-8,10,12-14,16,18-19,24-26,28,30-35,37-38,40-42H2,1-5H3/b11-9-,17-15-,22-20-,23-21-,29-27-,39-36-/t43-/m1/s1
InChIKeyUMDQTGZSPMWPID-CYNKDJQJSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) saliva (UBERON:0001836) Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation))
ChEBI Ontology
Outgoing Relation(s)
PC(P-18:1(9Z)/18:4(6Z,9Z,12Z,15Z)) (CHEBI:89460) is a glycerophosphocholine (CHEBI:36313)
Synonyms  Source
PC(36:5)HMDB
GPCho(18:1/18:4)HMDB
GPCho(36:5)HMDB
trimethyl(2-{[(2R)-3-[(1Z,9Z)-octadeca-1,9-dien-1-yloxy]-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyloxy]propyl phosphonato]oxy}ethyl)azaniumHMDB
Phosphatidylcholine(18:1/18:4)HMDB
PC(18:1n9/18:4n3)HMDB
Manual XrefsDatabases
HMDB0011313HMDB