EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:89453 - PC(18:3(9Z,12Z,15Z)/20:2(11Z,14Z))

ChEBI IDCHEBI:89453
ChEBI NamePC(18:3(9Z,12Z,15Z)/20:2(11Z,14Z))
Stars
DownloadsMolfile
FormulaC46H82NO8P
Net Charge0
Average Mass808.135
Monoisotopic Mass807.57781
SMILES[H][C@@](COC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h9,11,14-17,20-22,24,44H,6-8,10,12-13,18-19,23,25-43H2,1-5H3/b11-9-,16-14-,17-15-,22-20-,24-21-/t44-/m1/s1
InChIKeyWQYONUAQJUQROT-HTEBOPLQSA-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(18:3(9Z,12Z,15Z)/20:2(11Z,14Z)) (CHEBI:89453) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms  Source
Phosphatidylcholine(18:3n3/20:2n6)HMDB
PC(38:5)HMDB
GPCho(18:3w3/20:2w6)HMDB
GPCho(18:3/20:2)HMDB
Phosphatidylcholine(18:3w3/20:2w6)HMDB
Phosphatidylcholine(38:5)HMDB
Manual XrefsDatabases
LecithinWikipedia
HMDB0008210HMDB
PHOSPHATIDYLCHOLINEMetaCyc
Citations