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CHEBI:82947 - 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3'-phosphate)

ChEBI IDCHEBI:82947
ChEBI Name1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3'-phosphate)
Stars
ASCII Name1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3'-phosphate)
DefinitionA 1-phosphatidyl-1D-myo-inositol 3-phosphate in which both phosphatidyl acyl groups are specified as octanoyl.
Last Modified27 August 2015
SubmitterSteve
DownloadsMolfile
FormulaC25H48O16P2
Net Charge0
Average Mass666.591
Monoisotopic Mass666.24176
SMILESCCCCCCCC(=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)CCCCCCC
InChIInChI=1S/C25H48O16P2/c1-3-5-7-9-11-13-18(26)37-15-17(39-19(27)14-12-10-8-6-4-2)16-38-43(35,36)41-25-22(30)20(28)21(29)24(23(25)31)40-42(32,33)34/h17,20-25,28-31H,3-16H2,1-2H3,(H,35,36)(H2,32,33,34)/t17-,20+,21+,22-,23-,24-,25+/m1/s1
InChIKeyLKXJHTKDXMQMDM-UCGOVMIJSA-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'-phosphate) (CHEBI:82947) is a 1-phosphatidyl-1D-myo-inositol 3-phosphate (CHEBI:17283)
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3'-phosphate) (CHEBI:82947) is a octanoate ester (CHEBI:87657)
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3'-phosphate) (CHEBI:82947) is conjugate acid of 1,2-dioctanoyl-sn-glycero-3-phospho-(1'-D-myo-inositol-3'-phosphate)(3−) (CHEBI:78934)
Incoming Relation(s)
1,2-dioctanoyl-sn-glycero-3-phospho-(1'-D-myo-inositol-3'-phosphate)(3−) (CHEBI:78934) is conjugate base of 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3'-phosphate) (CHEBI:82947)
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 dioctanoate
Synonym  Source
PIP[3'](8:0/8:0)ChEBI