CHEBI:195483 - 1-stearoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho-1D-myo-inositol(1−)

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ChEBI Name 1-stearoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho-1D-myo-inositol(1−)
ChEBI ID CHEBI:195483
ChEBI ASCII Name 1-stearoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho-1D-myo-inositol(1-)
Stars This entity has been manually annotated by a third party.
Submitter laimo
Supplier Information
Download Molfile XML SDF
Formula C49H84O13P
Net Charge -1
Average Mass 912.172
Monoisotopic Mass 911.56550
InChI InChI=1S/C49H85O13P/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/h5,7,11,13,17,19,21-22,26,28,41,44-49,52-56H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-40H2,1-2H3,(H,57,58)/p-1/b7-5-,13-11-,19-17-,22-21-,28-26-/t41-,44-,45-,46+,47-,48-,49-/m1/s1
InChIKey QLABQLNIHHHJCI-HDALATBMSA-M
SMILES O=P([O-])(O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)O)O)O)O)OC[C@@H](COC(CCCCCCCCCCCCCCCCC)=O)OC(CCCCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC)=O
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via 1-phosphatidyl-1D-myo-inositol(1-) )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-stearoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:195483) is a 1-octadecanoyl-2-acyl-sn-glycero-3-phospho-1D-myo-inositol(1−) (CHEBI:65055)
Synonyms Sources
1-octadecanoyl-2-(7Z,10Z,13Z,16Z,19Z-docosapentaenoyl)-sn-glycero-3-phospho-1D-myo-inositol UniProt
PI(18:0/22:5n-3)(1−) SUBMITTER