CHEBI:89245 - 1-[(13Z,16Z)-docosadienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol

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ChEBI Name 1-[(13Z,16Z)-docosadienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol
ChEBI ID CHEBI:89245
ChEBI ASCII Name 1-[(13Z,16Z)-docosadienoyl]-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 (13Z,16Z)-docosadienoyl and linoleoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C49H87O13P
Net Charge 0
Average Mass 915.183
Monoisotopic Mass 914.58843
InChI InChI=1S/C49H87O13P/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/h11-14,17-19,23,41,44-49,52-56H,3-10,15-16,20-22,24-40H2,1-2H3,(H,57,58)/b13-11-,14-12-,19-17-,23-18-/t41-,44-,45-,46+,47-,48-,49-/m1/s1
InChIKey YMVJQMHRDDWISR-RTEKGICGSA-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)CCCCCCCCCCC/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-[(13Z,16Z)-docosadienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89245) has functional parent (13Z,16Z)-docosadienoic acid (CHEBI:75117)
1-[(13Z,16Z)-docosadienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89245) has functional parent linoleic acid (CHEBI:17351)
1-[(13Z,16Z)-docosadienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89245) has role human metabolite (CHEBI:77746)
1-[(13Z,16Z)-docosadienoyl]-2-linoleoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89245) 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 (13Z,16Z)-docosa-13,16-dienoate
Synonyms Sources
1-(13Z,16Z-docosadienoyl)-2-(9Z,12Z-octadecadienoyl)-glycero-3-phospho-(1'-myo- inositol) LIPID MAPS
1-(13Z,16Z-Docosadienoyl)-2-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phospho-(1'-myo-inositol) HMDB
1-[(13Z,16Z)-docosadienoyl]-2-[(9Z,12Z)-octadecadienoyl]-sn-glycero-3-phospho-1D-myo-inositol ChEBI
1-Docosadienoyl-2-linoleoyl-sn-glycero-3-phosphoinositol HMDB
Phosphatidylinositol(22:2/18:2) HMDB
Phosphatidylinositol(22:2n6/18:2n6) HMDB
Phosphatidylinositol(22:2w6/18:2w6) HMDB
Phosphatidylinositol(40:4) HMDB
PI(22:2(13Z,16Z)/18:2(9Z,12Z)) LIPID MAPS
PI(22:2/18:2) HMDB
PI(22:2n6/18:2n6) HMDB
PI(22:2w6/18:2w6) HMDB
PI(40:4) HMDB
PIno(22:2/18:2) HMDB
PIno(22:2n6/18:2n6) HMDB
PIno(22:2w6/18:2w6) HMDB
PIno(40:4) HMDB
Manual Xrefs Databases
HMDB0009906 HMDB
LMGP06010738 LIPID MAPS
View more database links
Citation Waiting for Citations Type Source
20671299 PubMed citation Europe PMC
Last Modified
24 March 2016