CHEBI:77279 - 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate
ChEBI ID CHEBI:77279
ChEBI ASCII Name 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate
Definition A 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate in which the phosphatidyl acyl groups at positions 1 and 2 are specified as stearoyl and oleoyl respectively.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C45H87O19P3
Net Charge 0
Average Mass 1025.08220
Monoisotopic Mass 1024.50544
InChI InChI=1S/C45H87O19P3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(46)59-35-37(61-39(47)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)36-60-67(57,58)64-43-40(48)41(49)44(62-65(51,52)53)45(42(43)50)63-66(54,55)56/h18,20,37,40-45,48-50H,3-17,19,21-36H2,1-2H3,(H,57,58)(H2,51,52,53)(H2,54,55,56)/b20-18-/t37-,40-,41+,42+,43-,44-,45-/m1/s1
InChIKey BWAQTKMFCCUVOJ-MDCBNCSGSA-N
SMILES CCCCCCCCCCCCCCCCCC(=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\C=C/CCCCCCCC
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-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate (CHEBI:77279) has functional parent octadecanoic acid (CHEBI:28842)
1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate (CHEBI:77279) has functional parent oleic acid (CHEBI:16196)
1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate (CHEBI:77279) is a 1-phosphatidyl-1D-myo-inositol 4,5-bisphosphate (CHEBI:18348)
1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate (CHEBI:77279) is conjugate acid of 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate(5−) (CHEBI:77140)
Incoming 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate(5−) (CHEBI:77140) is conjugate base of 1-stearoyl-2-oleoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate (CHEBI:77279)
IUPAC Name
(2R)-1-[(hydroxy{[(1R,2R,3S,4R,5R,6S)-2,3,6-trihydroxy-4,5-bis(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]-3-(stearoyloxy)propan-2-yl (9Z)-octadec-9-enoate
Synonyms Sources
1-octadecanoyl-2-(9Z)-octadecenoyl-sn-glycero-3-phospho-1D-myo-inositol 4,5-biphosphate ChEBI
1-stearoyl-2-oleoyl-phosphatidylinositol 4,5-biphosphate ChEBI
Last Modified
07 February 2014