CHEBI:82948 - 1,2-dipalmitoylglycero-3-phospho-(1ʼ-D-myo-inositol-3ʼ-phosphate)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2-dipalmitoylglycero-3-phospho-(1ʼ-D-myo-inositol-3ʼ-phosphate)
ChEBI ID CHEBI:82948
ChEBI ASCII Name 1,2-dipalmitoylglycero-3-phospho-(1'-D-myo-inositol-3'-phosphate)
Definition A phosphatidylinositol 3-phosphate in which both phosphatidyl acyl groups are specified as palmitoyl (hexadecanoyl)
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C41H80O16P2
Net Charge 0
Average Mass 891.01180
Monoisotopic Mass 890.49216
InChI InChI=1S/C41H80O16P2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-34(42)53-31-33(55-35(43)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2)32-54-59(51,52)57-41-38(46)36(44)37(45)40(39(41)47)56-58(48,49)50/h33,36-41,44-47H,3-32H2,1-2H3,(H,51,52)(H2,48,49,50)/t33?,36-,37-,38+,39+,40+,41-/m0/s1
InChIKey SZPQTEWIRPXBTC-ABBDTXMNSA-N
SMILES CCCCCCCCCCCCCCCC(=O)OCC(COP(O)(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](OP(O)(O)=O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC
ChEBI Ontology
Outgoing 1,2-dipalmitoylglycero-3-phospho-(1ʼ-D-myo-inositol-3ʼ-phosphate) (CHEBI:82948) has functional parent hexadecanoic acid (CHEBI:15756)
1,2-dipalmitoylglycero-3-phospho-(1ʼ-D-myo-inositol-3ʼ-phosphate) (CHEBI:82948) is a phosphatidylinositol 3-phosphate (CHEBI:26034)
1,2-dipalmitoylglycero-3-phospho-(1ʼ-D-myo-inositol-3ʼ-phosphate) (CHEBI:82948) is conjugate acid of 1,2-dipalmitoylglycero-3-phospho-(1ʼ-D-myo-inositol-3ʼ-phosphate)(3−) (CHEBI:78993)
Incoming 1,2-dipalmitoyl-sn-glycero-3-phospho-(1ʼD-myo-inositol-3ʼ-phosphate) (CHEBI:82963) is a 1,2-dipalmitoylglycero-3-phospho-(1ʼ-D-myo-inositol-3ʼ-phosphate) (CHEBI:82948)
1,2-dipalmitoylglycero-3-phospho-(1ʼ-D-myo-inositol-3ʼ-phosphate)(3−) (CHEBI:78993) is conjugate base of 1,2-dipalmitoylglycero-3-phospho-(1ʼ-D-myo-inositol-3ʼ-phosphate) (CHEBI:82948)
IUPAC Name
3-[(hydroxy{[(1S,2R,3S,4S,5R,6R)-2,3,4,6-tetrahydroxy-5-(phosphonooxy)cyclohexyl]oxy}phosphoryl)oxy]propane-1,2-diyl dihexadecanoate
Last Modified
17 September 2014