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CHEBI:83417 - 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate)(5−)

Default Structure
ChEBI IDCHEBI:83417
ChEBI Name1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate)(5−)
Stars
ASCII Name1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate)(5-)
DefinitionA 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate(5−) in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as octanoyl.
Last Modified12 January 2015
Submitterlaimo
DownloadsMolfile
FormulaC25H44O19P3
Net Charge-5
Average Mass741.530
Monoisotopic Mass741.17171
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)/p-5/t17-,20-,21-,22+,23+,24+,25+/m1/s1
InChIKeyXLNCEHRXXWQMPK-AWGZLWLLSA-I
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate)(5−) (CHEBI:83417) is a 1-phosphatidyl-1D-myo-inositol 3,4-bisphosphate(5−) (CHEBI:57658)
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)
Incoming Relation(s)
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)
IUPAC Name 
(2R)-2,3-bis(octanoyloxy)propyl (1S,2R,3R,4S,5S,6S)-2,3,6-trihydroxy-4,5-bis(phosphonatooxy)cyclohexyl phosphate
Synonyms  Source
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol 3,4-bisphosphate)(5−)SUBMITTER
PIP2[3',4'](8:0/8:0)(5−)ChEBI
PtdIns(3,4)P2diC8 (5−)SUBMITTER
UniProt Name  Source
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4-bisphosphate)UniProt