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CHEBI:82963 - 1,2-dipalmitoyl-sn-glycero-3-phospho-(1'D-myo-inositol-3'-phosphate)

ChEBI IDCHEBI:82963
ChEBI Name1,2-dipalmitoyl-sn-glycero-3-phospho-(1'D-myo-inositol-3'-phosphate)
Stars
ASCII Name1,2-dipalmitoyl-sn-glycero-3-phospho-(1'D-myo-inositol-3'-phosphate)
DefinitionA 1-phosphatidyl-1D-myo-inositol 3-phosphate in which both phosphatidyl acyl groups are specified as palmitoyl (hexadecanoyl).
Last Modified17 September 2014
SubmitterSteve
DownloadsMolfile
FormulaC41H80O16P2
Net Charge0
Average Mass891.023
Monoisotopic Mass890.49216
SMILESCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@H](O)[C@H](OP(=O)(O)O)[C@@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C41H80O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)53-31-33(55-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-54-59(51,52)57-41-38(46)36(44)37(45)40(39(41)47)56-58(48,49)50/h33,36-41,44-47H,3-32H2,1-2H3,(H,51,52)(H2,48,49,50)/t33-,36+,37+,38-,39-,40-,41+/m1/s1
InChIKeySZPQTEWIRPXBTC-KFOWTEFUSA-N
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1,2-dipalmitoyl-sn-glycero-3-phospho-(1'D-myo-inositol-3'-phosphate) (CHEBI:82963) has functional parent hexadecanoic acid (CHEBI:15756)
1,2-dipalmitoyl-sn-glycero-3-phospho-(1'D-myo-inositol-3'-phosphate) (CHEBI:82963) is a 1-phosphatidyl-1D-myo-inositol 3-phosphate (CHEBI:17283)
1,2-dipalmitoyl-sn-glycero-3-phospho-(1'D-myo-inositol-3'-phosphate) (CHEBI:82963) is a 1,2-dipalmitoylglycero-3-phospho-(1'-D-myo-inositol-3'-phosphate) (CHEBI:82948)
IUPAC Name 
(2R)-3-[(hydroxy{[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dihexadecanoate
Synonyms  Source
1,2-dihexadecanoyl-sn-glycero-3-phospho-(1'D-myo-inositol-3'-phosphate)ChEBI
PIP[3'](16:0/16:0)ChEBI
Registry NumbersSources
Reaxys:8136657Reaxys