EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:89459 - PC(P-18:1(9Z)/18:3(6Z,9Z,12Z))

ChEBI IDCHEBI:89459
ChEBI NamePC(P-18:1(9Z)/18:3(6Z,9Z,12Z))
Stars
DownloadsMolfile
FormulaC44H80NO7P
Net Charge0
Average Mass766.098
Monoisotopic Mass765.56724
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\CCCCC
InChIInChI=1S/C44H80NO7P/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/h15,17,20-23,27,29,36,39,43H,6-14,16,18-19,24-26,28,30-35,37-38,40-42H2,1-5H3/b17-15-,22-20-,23-21-,29-27-,39-36-/t43-/m1/s1
InChIKeyUMVUERLCXMUMBK-DSXXCHKPSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606)
saliva (UBERON:0001836) Article (Dame, ZT. et al. (2014) The Human Saliva Metabolome (manuscript in preparation))
urine (BTO:0001419) PubMed (24023812)
ChEBI Ontology
Outgoing Relation(s)
PC(P-18:1(9Z)/18:3(6Z,9Z,12Z)) (CHEBI:89459) is a glycerophosphocholine (CHEBI:36313)
Synonyms  Source
Phosphatidylcholine(36:4)HMDB
GPCho(18:1n9/18:3n6)HMDB
PC(18:1n9/18:3n6)HMDB
PC(18:1w9/18:3w6)HMDB
Phosphatidylcholine(18:1n9/18:3n6)HMDB
1-(1-Enyl-oleoyl)-2-gamma-linolenoyl-sn-glycero-3-phosphocholineHMDB
Manual XrefsDatabases
HMDB0011311HMDB
Citations