CHEBI:83419 - 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate)(5−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate)(5−)
ChEBI ID CHEBI:83419
ChEBI ASCII Name 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate)(5-)
Definition A 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate(5−) 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.
Submitter Lucila Aimo
Supplier Information
Download Molfile XML SDF
Formula C25H44O19P3
Net Charge -5
Average Mass 741.52950
Monoisotopic Mass 741.17171
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)/p-5/t17-,20-,21+,22+,23-,24-,25-/m1/s1
InChIKey XLNCEHRXXWQMPK-MJUMVPIBSA-I
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
ChEBI Ontology
Outgoing 1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate)(5−) (CHEBI:83419) is a 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate(5−) (CHEBI:58456)
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)
Incoming 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)
IUPAC Name
(2R)-2,3-bis(octanoyloxy)propyl (1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonatooxy)cyclohexyl phosphate
Synonyms Sources
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol 4,5-bisphosphate)(5−) SUBMITTER
1,2-dioctanoyl-sn-glycero-3-phospho-(1D-myo-inositol-4,5-bisphosphate) UniProt
PIP2[4',5'](8:0/8:0)(5−) ChEBI
PtdIns(4,5)P2diC8 (5−) SUBMITTER
Last Modified
12 January 2015