EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:89735 - PC(16:1(9Z)/20:3(5Z,8Z,11Z))

ChEBI IDCHEBI:89735
ChEBI NamePC(16:1(9Z)/20:3(5Z,8Z,11Z))
Stars
DownloadsMolfile
FormulaC44H80NO8P
Net Charge0
Average Mass782.097
Monoisotopic Mass781.56216
SMILES[H][C@@](COC(=O)CCCCCCC/C=C\CCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\CCCCCCCC
InChIInChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-19-17-15-13-11-9-7-2/h17,19-21,23,25,29,31,42H,6-16,18,22,24,26-28,30,32-41H2,1-5H3/b19-17-,21-20-,25-23-,31-29-/t42-/m1/s1
InChIKeySKHRULFMZYNDLW-IRKGUOCTSA-N
Wikipedia
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(16:1(9Z)/20:3(5Z,8Z,11Z)) (CHEBI:89735) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms  Source
PC(16:1/20:3)HMDB
Phosphatidylcholine(36:4)HMDB
PC(36:4)HMDB
1-Palmitoleoyl-2-meadoyl-sn-glycero-3-phosphocholineHMDB
Phosphatidylcholine(16:1w7/20:3w9)HMDB
Phosphatidylcholine(16:1/20:3)HMDB
Manual XrefsDatabases
LecithinWikipedia
HMDB0008013HMDB
PHOSPHATIDYLCHOLINEMetaCyc
Citations