CHEBI:84241 - 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate)
ChEBI ID CHEBI:84241
ChEBI ASCII Name 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate)
Definition A 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate in which the phosphatidyl acyl groups at positions 1 and 2 are both specified as octanoyl.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C25H49O19P3
Net Charge 0
Average Mass 746.56640
Monoisotopic Mass 746.20809
InChI InChI=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
InChIKey XLNCEHRXXWQMPK-MJUMVPIBSA-N
SMILES CCCCCCCC(=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
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
(via 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate) (CHEBI:84241) is a 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate (CHEBI:18348)
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate) (CHEBI:84241) is a octanoate ester (CHEBI:87657)
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate) (CHEBI:84241) is conjugate acid of 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate)(5−) (CHEBI:83419)
Incoming 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate)(5−) (CHEBI:83419) is conjugate base of 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate) (CHEBI:84241)
IUPAC Name
(2R)-3-[(hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dioctanoate
Synonym Source
PIP2[4',5'](8:0/8:0) ChEBI
Registry Number Type Source
9378085 Reaxys Registry Number Reaxys
Last Modified
27 August 2015