CHEBI:89246 - 1-[(13Z,16Z)-docosadienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol

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ChEBI Name 1-[(13Z,16Z)-docosadienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol
ChEBI ID CHEBI:89246
ChEBI ASCII Name 1-[(13Z,16Z)-docosadienoyl]-2-hexadecanoyl-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 hexadecanoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C47H87O13P
Net Charge 0
Average Mass 891.161
Monoisotopic Mass 890.58843
InChI InChI=1S/C47H87O13P/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-25-27-29-31-33-35-40(48)57-37-39(38-58-61(55,56)60-47-45(53)43(51)42(50)44(52)46(47)54)59-41(49)36-34-32-30-28-26-23-16-14-12-10-8-6-4-2/h11,13,17-18,39,42-47,50-54H,3-10,12,14-16,19-38H2,1-2H3,(H,55,56)/b13-11-,18-17-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
InChIKey WCMFLJINGZIEAR-GBCMBGDPSA-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)CCCCCCC
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-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89246) has functional parent (13Z,16Z)-docosadienoic acid (CHEBI:75117)
1-[(13Z,16Z)-docosadienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89246) has functional parent hexadecanoic acid (CHEBI:15756)
1-[(13Z,16Z)-docosadienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89246) has role human metabolite (CHEBI:77746)
1-[(13Z,16Z)-docosadienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89246) is a 1-phosphatidyl-1D-myo-inositol (CHEBI:16749)
IUPAC Name
(2R)-2-(hexadecanoyloxy)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy}phosphoryl)oxy]propyl (9Z,12Z)-docosa-13,16-dienoate
Synonyms Sources
1-(13Z,16Z-docosadienoyl)-2-hexadecanoyl-glycero-3-phospho-(1'-myo-inositol) LIPID MAPS
1-(13Z,16Z-Docosadienoyl)-2-hexadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol) HMDB
1-[(13Z,16Z)-docosadienoyl]-2-palmitoyl-sn-glycero-3-phospho-1D-myo-inositol ChEBI
1-Docosadienoyl-2-palmitoyl-sn-glycero-3-phosphoinositol HMDB
Phosphatidylinositol(22:2/16:0) HMDB
Phosphatidylinositol(22:2n6/16:0) HMDB
Phosphatidylinositol(22:2w6/16:0) HMDB
Phosphatidylinositol(38:2) HMDB
PI(22:2(13Z,16Z)/16:0) HMDB
PI(22:2/16:0) HMDB
PI(22:2n6/16:0) HMDB
PI(22:2w6/16:0) HMDB
PI(38:2) HMDB
PIno(22:2/16:0) HMDB
PIno(22:2n6/16:0) HMDB
PIno(22:2w6/16:0) HMDB
PIno(38:2) HMDB
Manual Xrefs Databases
HMDB0009905 HMDB
LMGP06010731 LIPID MAPS
View more database links
Citation Waiting for Citations Type Source
20671299 PubMed citation Europe PMC
Last Modified
24 March 2016