EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:195488 - 1-oleoyl-2-(8Z,11Z,14Z-icosatrienoyl)-sn-glycero-3-phospho-1D-myo-inositol(1−)

ChEBI IDCHEBI:195488
ChEBI Name1-oleoyl-2-(8Z,11Z,14Z-icosatrienoyl)-sn-glycero-3-phospho-1D-myo-inositol(1−)
Stars
ASCII Name1-oleoyl-2-(8Z,11Z,14Z-icosatrienoyl)-sn-glycero-3-phospho-1D-myo-inositol(1-)
Submitterlaimo
DownloadsMolfile
FormulaC47H82O13P
Net Charge-1
Average Mass886.134
Monoisotopic Mass885.54985
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)([O-])O[C@@H]1[C@H](O)[C@H](O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C47H83O13P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(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)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h11,13,17-19,21-22,24,39,42-47,50-54H,3-10,12,14-16,20,23,25-38H2,1-2H3,(H,55,56)/p-1/b13-11-,19-17-,21-18-,24-22-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
InChIKeyWTRAJKINRRDLTR-QHWJKRFQSA-M
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-oleoyl-2-(8Z,11Z,14Z-icosatrienoyl)-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:195488) is a 1-phosphatidyl-1D-myo-inositol(1−) (CHEBI:57880)
Synonym  Source
PI(18:1n-9/20:3n-6)(1−)SUBMITTER
UniProt Name  Source
1-(9Z-octadecenoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phospho-1D-myo-inositolUniProt