EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:88680 - PI(20:0/18:2(9Z,12Z))

ChEBI IDCHEBI:88680
ChEBI NamePI(20:0/18:2(9Z,12Z))
Stars
DownloadsMolfile
FormulaC47H87O13P
Net Charge0
Average Mass891.174
Monoisotopic Mass890.58843
SMILES[H][C@@](COC(=O)CCCCCCCCCCCCCCCCCCC)(COP(=O)(O)O[C@H]1C(O)C(O)C(O)[C@@H](O)C1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C47H87O13P/c1-3-5-7-9-11-13-15-17-19-20-22-23-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-24-21-18-16-14-12-10-8-6-4-2/h12,14,18,21,39,42-47,50-54H,3-11,13,15-17,19-20,22-38H2,1-2H3,(H,55,56)/b14-12-,21-18-/t39-,42?,43-,44?,45?,46?,47-/m1/s1
InChIKeyIDCPFVSWORDTJS-CKXJZSFQSA-N
Wikipedia
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood (UBERON:0000178) PubMed (20671299)
ChEBI Ontology
Outgoing Relation(s)
PI(20:0/18:2(9Z,12Z)) (CHEBI:88680) is a phosphatidylinositol (CHEBI:28874)
Synonyms  Source
PI(38:2)HMDB
PI(20:0/18:2)HMDB
PI(20:0/18:2n6)HMDB
1-Arachidonyl-2-linoleoyl-sn-glycero-3-phosphoinositolHMDB
[(2R)-3-(icosanoyloxy)-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acidHMDB
Phosphatidylinositol(20:0/18:2)HMDB
Manual XrefsDatabases
PhosphatidylinositolsMetaCyc
LecithinWikipedia
HMDB0009867HMDB
Citations