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CHEBI:84240 - 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate)

ChEBI IDCHEBI:84240
ChEBI Name1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate)
Stars
ASCII Name1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate)
DefinitionA 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as octanoyl.
Last Modified27 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC25H49O19P3
Net Charge0
Average Mass746.570
Monoisotopic Mass746.20809
SMILESCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@H]1[C@H](O)[C@@H](O)[C@H](OP(=O)(O)O)[C@@H](OP(=O)(O)O)[C@H]1O)OC(=O)CCCCCCC
InChIInChI=1S/C25H49O19P3/c1-3-5-7-9-11-13-18(26)39-15-17(41-19(27)14-12-10-8-6-4-2)16-40-47(37,38)44-23-20(28)21(29)24(42-45(31,32)33)25(22(23)30)43-46(34,35)36/h17,20-25,28-30H,3-16H2,1-2H3,(H,37,38)(H2,31,32,33)(H2,34,35,36)/t17-,20-,21-,22+,23+,24+,25+/m1/s1
InChIKeyXLNCEHRXXWQMPK-AWGZLWLLSA-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-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate) (CHEBI:84240) is a 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate (CHEBI:16152)
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate) (CHEBI:84240) is a octanoate ester (CHEBI:87657)
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate) (CHEBI:84240) is conjugate acid of 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate)(5−) (CHEBI:83417)
Incoming Relation(s)
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate)(5−) (CHEBI:83417) is conjugate base of 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate) (CHEBI:84240)
IUPAC Name 
(2R)-3-[(hydroxy{[(1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dioctanoate
Synonym  Source
PIP2[3',4'](8:0/8:0)ChEBI
Registry NumbersSources
Reaxys:25649097Reaxys