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

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ChEBI Name 1-oleoyl-2-(8Z,11Z,14Z-icosatrienoyl)-sn-glycero-3-phospho-1D-myo-inositol(1−)
ChEBI ID CHEBI:195488
ChEBI ASCII Name 1-oleoyl-2-(8Z,11Z,14Z-icosatrienoyl)-sn-glycero-3-phospho-1D-myo-inositol(1-)
Stars This entity has been manually annotated by a third party.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C47H82O13P
Net Charge -1
Average Mass 886.134
Monoisotopic Mass 885.54985
InChI InChI=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
InChIKey WTRAJKINRRDLTR-QHWJKRFQSA-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(CCCCCCC/C=C\CCCCCCCC)=O)OC(CCCCCC/C=C\C/C=C\C/C=C\CCCCC)=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-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)
Synonyms Sources
1-(9Z-octadecenoyl)-2-(8Z,11Z,14Z-eicosatrienoyl)-sn-glycero-3-phospho-1D-myo-inositol UniProt
PI(18:1n-9/20:3n-6)(1−) SUBMITTER