EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:88559 - PI(16:2(9Z,12Z)/22:3(10Z,13Z,16Z))

ChEBI IDCHEBI:88559
ChEBI NamePI(16:2(9Z,12Z)/22:3(10Z,13Z,16Z))
Stars
DownloadsMolfile
FormulaC47H81O13P
Net Charge0
Average Mass885.126
Monoisotopic Mass884.54148
SMILES[H][C@@](COC(=O)CCCCCCC/C=C\C/C=C\CCC)(COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC
InChIInChI=1S/C47H81O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(49)59-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)37-57-40(48)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h8,10-11,13-14,16-18,20-21,39,42-47,50-54H,3-7,9,12,15,19,22-38H2,1-2H3,(H,55,56)/b10-8-,13-11-,16-14-,18-17-,21-20-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
InChIKeyDMWGXPQFZLCNSP-LVRSVQNSSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (20671299)
ChEBI Ontology
Outgoing Relation(s)
PI(16:2(9Z,12Z)/22:3(10Z,13Z,16Z)) (CHEBI:88559) is a phosphatidylinositol (CHEBI:28874)
Synonyms  Source
Phosphatidylinositol(16:2/22:3)HMDB
Phosphatidylinositol(16:2w4/22:3w6)HMDB
PI(16:2w4/22:3w6)HMDB
[(2R)-2-[(10Z,13Z,16Z)-docosa-10,13,16-trienoyloxy]-3-[(9Z,12Z)-hexadeca-9,12-dienoyloxy]propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acidHMDB
PIno(16:2/22:3)HMDB
1-(9Z,12Z-HexadecadienoateHMDB
Manual XrefsDatabases
HMDB0009804HMDB
PhosphatidylinositolsMetaCyc
LecithinWikipedia
Citations