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CHEBI:83416 - 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate)(7−)

ChEBI IDCHEBI:83416
ChEBI Name1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate)(7−)
Stars
ASCII Name1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate)(7-)
DefinitionA 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7−) in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as octanoyl.
Last Modified12 January 2015
Submitterlaimo
DownloadsMolfile
FormulaC25H43O22P4
Net Charge-7
Average Mass819.493
Monoisotopic Mass819.12348
SMILESCCCCCCCC(=O)OC[C@H](COP(=O)([O-])O[C@H]1[C@H](O)[C@@H](OP(=O)([O-])[O-])[C@H](OP(=O)([O-])[O-])[C@@H](OP(=O)([O-])[O-])[C@H]1O)OC(=O)CCCCCCC
InChIInChI=1S/C25H50O22P4/c1-3-5-7-9-11-13-18(26)41-15-17(43-19(27)14-12-10-8-6-4-2)16-42-51(39,40)47-22-20(28)23(44-48(30,31)32)25(46-50(36,37)38)24(21(22)29)45-49(33,34)35/h17,20-25,28-29H,3-16H2,1-2H3,(H,39,40)(H2,30,31,32)(H2,33,34,35)(H2,36,37,38)/p-7/t17-,20+,21+,22-,23+,24-,25-/m1/s1
InChIKeyANFYVAHJWGJYAT-QLCNXWICSA-G
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-3,4,5-trisphosphate)(7−) (CHEBI:83416) is a 1-phosphatidyl-1D-myo-inositol 3,4,5-trisphosphate(7−) (CHEBI:57836)
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate)(7−) (CHEBI:83416) is conjugate base of 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate) (CHEBI:84238)
Incoming Relation(s)
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate) (CHEBI:84238) is conjugate acid of 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate)(7−) (CHEBI:83416)
IUPAC Name 
(2R)-2,3-bis(octanoyloxy)propyl (1S,2S,3R,5S,6S)-2,6-dihydroxy-3,4,5-tris(phosphonatooxy)cyclohexyl phosphate
Synonyms  Source
1,2-dioctanoyl-phosphatidylinositol 3,4,5-trisphosphate(7−)SUBMITTER
PtdIns(3,4,5)P3diC8 (7−)SUBMITTER
PIP3[3',4',5'](8:0/8:0)(7−)ChEBI
UniProt Name  Source
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-3,4,5-trisphosphate)UniProt