EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:195484 - 1-oleoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho-1D-myo-inositol(1−)

ChEBI IDCHEBI:195484
ChEBI Name1-oleoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho-1D-myo-inositol(1−)
Stars
ASCII Name1-oleoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho-1D-myo-inositol(1-)
Submitterlaimo
DownloadsMolfile
FormulaC49H82O13P
Net Charge-1
Average Mass910.156
Monoisotopic Mass909.54985
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=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/C49H83O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(51)61-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)39-59-42(50)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h5,7,11,13,17-19,21-23,26,28,41,44-49,52-56H,3-4,6,8-10,12,14-16,20,24-25,27,29-40H2,1-2H3,(H,57,58)/p-1/b7-5-,13-11-,19-17-,22-21-,23-18-,28-26-/t41-,44-,45-,46+,47-,48-,49-/m1/s1
InChIKeyCVDYOYNJWLXMAW-CZVDDYSZSA-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-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:195484) is a phosphatidylinositol 40:6(1−) (CHEBI:91040)
Synonym  Source
PI(18:1n-9/22:5n-3)(1−)SUBMITTER
UniProt Name  Source
1-(9Z-octadecenoyl)-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho-1D-myo-inositolUniProt