EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:89659 - PC(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))

ChEBI IDCHEBI:89659
ChEBI NamePC(16:1(9Z)/22:4(7Z,10Z,13Z,16Z))
Stars
DownloadsMolfile
FormulaC46H82NO8P
Net Charge0
Average Mass808.135
Monoisotopic Mass807.57781
SMILES[H][C@@](COC(=O)CCCCCCC/C=C\CCCCCC)(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C46H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47(3,4)5)42-52-45(48)38-36-34-32-30-28-26-19-17-15-13-11-9-7-2/h14,16-17,19-21,23-24,27,29,44H,6-13,15,18,22,25-26,28,30-43H2,1-5H3/b16-14-,19-17-,21-20-,24-23-,29-27-/t44-/m1/s1
InChIKeyXJISBSFDFOVVHI-QIOBQPIHSA-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)/22:4(7Z,10Z,13Z,16Z)) (CHEBI:89659) is a 1,2-diacyl-sn-glycero-3-phosphocholine (CHEBI:57643)
Synonyms  Source
PC(16:1n7/22:4n6)HMDB
Phosphatidylcholine(16:1n7/22:4n6)HMDB
Phosphatidylcholine(16:1w7/22:4w6)HMDB
GPCho(38:5)HMDB
(2-{[(2R)-2-[(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoyloxy]-3-[(9Z)-hexadec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazaniumHMDB
PC(16:1w7/22:4w6)HMDB
Manual XrefsDatabases
PHOSPHATIDYLCHOLINEMetaCyc
HMDB0008021HMDB
LecithinWikipedia
Citations