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CHEBI:82849 - 1,2-dioctanoyl-sn-glycero-3-phospho-(1'-myo-inositol-5'-phosphate)

ChEBI IDCHEBI:82849
ChEBI Name1,2-dioctanoyl-sn-glycero-3-phospho-(1'-myo-inositol-5'-phosphate)
Stars
ASCII Name1,2-dioctanoyl-sn-glycero-3-phospho-(1'-myo-inositol-5'-phosphate)
DefinitionA 1-phosphatidyl-1D-myo-inositol 5-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-DICZBTHZSA-N
ChEBI Ontology
Outgoing Relation(s)
1,2-dioctanoyl-sn-glycero-3-phospho-(1'-myo-inositol-5'-phosphate) (CHEBI:82849) is a 1-phosphatidyl-1D-myo-inositol 5-phosphate (CHEBI:16500)
1,2-dioctanoyl-sn-glycero-3-phospho-(1'-myo-inositol-5'-phosphate) (CHEBI:82849) is a octanoate ester (CHEBI:87657)
1,2-dioctanoyl-sn-glycero-3-phospho-(1'-myo-inositol-5'-phosphate) (CHEBI:82849) is conjugate acid of 1,2-dioctanoyl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate)(3−) (CHEBI:78911)
Incoming Relation(s)
1,2-dioctanoyl-sn-glycero-3-phospho-(1'D-myo-inositol-5'-phosphate)(3−) (CHEBI:78911) is conjugate base of 1,2-dioctanoyl-sn-glycero-3-phospho-(1'-myo-inositol-5'-phosphate) (CHEBI:82849)
IUPAC Name 
(2R)-3-[(hydroxy{[(1R,2R,3R,4R,5S,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dioctanoate
Synonym  Source
PIP[5'](8:0/8:0)ChEBI