CHEBI:89248 - 1-[(10Z,13Z,16Z)-docosatrienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[(10Z,13Z,16Z)-docosatrienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol
ChEBI ID CHEBI:89248
ChEBI ASCII Name 1-[(10Z,13Z,16Z)-docosatrienoyl]-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 (10Z,13Z,16Z)-docosatrienoyl and hexadecanoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C47H85O13P
Net Charge 0
Average Mass 889.146
Monoisotopic Mass 888.57278
InChI InChI=1S/C47H85O13P/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/h11,13,17-18,20-21,39,42-47,50-54H,3-10,12,14-16,19,22-38H2,1-2H3,(H,55,56)/b13-11-,18-17-,21-20-/t39-,42-,43-,44+,45-,46-,47-/m1/s1
InChIKey MHKWHDPIKFAACP-SVKJOJBUSA-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)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).
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ChEBI Ontology
Outgoing 1-[(10Z,13Z,16Z)-docosatrienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89248) has functional parent (10Z,13Z,16Z)-docosatrienoic acid (CHEBI:83747)
1-[(10Z,13Z,16Z)-docosatrienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89248) has functional parent hexadecanoic acid (CHEBI:15756)
1-[(10Z,13Z,16Z)-docosatrienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89248) has role human metabolite (CHEBI:77746)
1-[(10Z,13Z,16Z)-docosatrienoyl]-2-hexadecanoyl-sn-glycero-3-phospho-1D-myo-inositol (CHEBI:89248) 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 (10Z,13Z,16Z)-docosa-10,13,16-trienoate
Synonyms Sources
1-(10Z,13Z,16Z-Docosatrienoyl)-2-hexadecanoyl-sn-glycero-3-phospho-(1'-myo-inositol) HMDB
1-(10Z,13Z,16Z-Docosatrienoyl)-2-palmitoyl-sn-glycero-3-phosphoinositol HMDB
1-[(10Z,13Z,16Z)-docosatrienoyl]-2-palmitoyl-sn-glycero-3-phospho-1D-myo-inositol ChEBI
[(2R)-3-[(10Z,13Z,16Z)-docosa-10,13,16-trienoyloxy]-2-(hexadecanoyloxy)propoxy]({[(1s,3R)-2,3,4,5,6-pentahydroxycyclohexyl]oxy})phosphinic acid HMDB
Phosphatidylinositol(22:3/16:0) HMDB
Phosphatidylinositol(22:3n6/16:0) HMDB
Phosphatidylinositol(22:3w6/16:0) HMDB
Phosphatidylinositol(38:3) HMDB
PI(22:3(10Z,13Z,16Z)/16:0) HMDB
PI(22:3/16:0) HMDB
PI(22:3n6/16:0) HMDB
PI(22:3w6/16:0) HMDB
PI(38:3) HMDB
PIno(22:3/16:0) HMDB
PIno(22:3n6/16:0) HMDB
PIno(22:3w6/16:0) HMDB
PIno(38:3) HMDB
Manual Xref Database
HMDB0009907 HMDB
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Citation Waiting for Citations Type Source
20671299 PubMed citation Europe PMC
Last Modified
24 March 2016