EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:89738 - PC(16:1(9Z)/20:4(8Z,11Z,14Z,17Z))

ChEBI IDCHEBI:89738
ChEBI NamePC(16:1(9Z)/20:4(8Z,11Z,14Z,17Z))
Stars
DownloadsMolfile
FormulaC44H78NO8P
Net Charge0
Average Mass780.081
Monoisotopic Mass779.54651
SMILES[H][C@@](COC(=O)CCCCCCC/C=C\CCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCC/C=C\C/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C44H78NO8P/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/h8,10,14,16-17,19-21,23,25,42H,6-7,9,11-13,15,18,22,24,26-41H2,1-5H3/b10-8-,16-14-,19-17-,21-20-,25-23-/t42-/m1/s1
InChIKeyNJKOHDXHBBUJBZ-HVRDEFPWSA-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))
ChEBI Ontology
Outgoing Relation(s)
PC(16:1(9Z)/20:4(8Z,11Z,14Z,17Z)) (CHEBI:89738) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms  Source
Phosphatidylcholine(16:1n7/20:4n3)HMDB
GPCho(16:1/20:4)HMDB
PC(16:1n7/20:4n3)HMDB
Phosphatidylcholine(36:5)HMDB
Phosphatidylcholine(16:1/20:4)HMDB
(2-{[(2R)-3-[(9Z)-hexadec-9-enoyloxy]-2-[(8Z,11Z,14Z,17Z)-icosa-8,11,14,17-tetraenoyloxy]propyl phosphonato]oxy}ethyl)trimethylazaniumHMDB
Manual XrefsDatabases
LecithinWikipedia
PHOSPHATIDYLCHOLINEMetaCyc
HMDB0008016HMDB