CHEBI:89249 - 1-[(10Z,13Z,16Z)-docosatrienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol

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ChEBI Name 1-[(10Z,13Z,16Z)-docosatrienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol
ChEBI ID CHEBI:89249
ChEBI ASCII Name 1-[(10Z,13Z,16Z)-docosatrienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol
Definition A 1-phosphatidyl-1D-myo-inositol in which the phosphatidyl acyl groups at positions 1 and 2 are specified as (10Z,13Z,16Z)-docosatrienoyl and linoleoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C49H85O13P
Net Charge 0
Average Mass 913.167
Monoisotopic Mass 912.57278
InChI InChI=1S/C49H85O13P/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-25-27-29-31-33-35-37-42(50)59-39-41(40-60-63(57,58)62-49-47(55)45(53)44(52)46(54)48(49)56)61-43(51)38-36-34-32-30-28-26-23-18-16-14-12-10-8-6-4-2/h11-14,17-19,21-23,41,44-49,52-56H,3-10,15-16,20,24-40H2,1-2H3,(H,57,58)/b13-11-,14-12-,19-17-,22-21-,23-18-/t41-,44-,45-,46+,47-,48-,49-/m1/s1
InChIKey QEXGQJPSYREGSR-STLQCANHSA-N
SMILES C(\CCCCCCCC(O[C@@H](COP(O[C@H]1[C@@H]([C@H]([C@@H]([C@H]([C@H]1O)O)O)O)O)(=O)O)COC(=O)CCCCCCCC/C=C\C/C=C\C/C=C\CCCCC)=O)=C\C/C=C\CCCCC
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) Found in blood (UBERON:0000178). See: PubMed
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1-[(10Z,13Z,16Z)-docosatrienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89249) has functional parent (10Z,13Z,16Z)-docosatrienoic acid (CHEBI:83747)
1-[(10Z,13Z,16Z)-docosatrienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89249) has functional parent linoleic acid (CHEBI:17351)
1-[(10Z,13Z,16Z)-docosatrienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89249) has role human metabolite (CHEBI:77746)
1-[(10Z,13Z,16Z)-docosatrienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89249) is a 1-phosphatidyl-1D-myo-inositol (CHEBI:16749)
IUPAC Name
(2R)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]-2-{[(9Z,12Z)-octadeca-9,12-dienoyl]oxy}propyl (10Z,13Z,16Z)-docosa-10,13,16-trienoate
Synonyms Sources
1-(10Z,13Z,16Z-Docosatrienoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-(1'-myo-inositol) HMDB
1-(10Z,13Z,16Z-Docosatrienoyl)-2-linoleoyl-sn-glycero-3-phosphoinositol HMDB
1-[(10Z,13Z,16Z)-docosatrienoyl]-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phospho-1D-myo-inositol ChEBI
[(2R)-3-[(10Z,13Z,16Z)-docosa-10,13,16-trienoyloxy]-2-[(9Z,12Z)-octadeca-9,12-dienoyloxy]propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid HMDB
Phosphatidylinositol(22:3/18:2) HMDB
Phosphatidylinositol(22:3n6/18:2n6) HMDB
Phosphatidylinositol(22:3w6/18:2w6) HMDB
Phosphatidylinositol(40:5) HMDB
PI(22:3(10Z,13Z,16Z)/18:2(9Z,12Z)) HMDB
PI(22:3/18:2) HMDB
PI(22:3n6/18:2n6) HMDB
PI(22:3w6/18:2w6) HMDB
PI(40:5) HMDB
PIno(22:3/18:2) HMDB
PIno(22:3n6/18:2n6) HMDB
PIno(22:3w6/18:2w6) HMDB
PIno(40:5) HMDB
Manual Xref Database
HMDB0009909 HMDB
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Citation Waiting for Citations Type Source
20671299 PubMed citation Europe PMC
Last Modified
24 March 2016