PDB CCD ID: | FGV |
Number of entries in BioLiP: | 1 |
Chemical formula: | C6 H15 O15 P3 |
InChI: | InChI=1S/C6H15O15P3/c7-1-4(19-22(10,11)12)2(8)6(21-24(16,17)18)3(9)5(1)20-23(13,14)15/h1-9H,(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)/t1-,2-,3-,4-,5+,6- |
InChIKey: | RURWIJNHQMXJDV-GBKPYZKPSA-N |
SMILES: | Software | SMILES |
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CACTVS 3.385 | O[C@@H]1[C@H](O[P](O)(O)=O)[C@@H](O)[C@H](O[P](O)(O)=O)[C@@H](O)[C@@H]1O[P](O)(O)=O | CACTVS 3.385 | O[CH]1[CH](O[P](O)(O)=O)[CH](O)[CH](O[P](O)(O)=O)[CH](O)[CH]1O[P](O)(O)=O | OpenEye OEToolkits 2.0.6 | C1(C(C(C(C(C1OP(=O)(O)O)O)OP(=O)(O)O)O)OP(=O)(O)O)O | ACDLabs 12.01 | C1(C(O)C(OP(O)(O)=O)C(O)C(C1O)OP(=O)(O)O)OP(O)(O)=O |
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Name: | (1R,2S,3r,4R,5S,6s)-2,4,6-trihydroxycyclohexane-1,3,5-triyl tris[dihydrogen (phosphate)]; D-myo-inositol-1,3,5-trisphosphate |
ChEMBL: | CHEMBL3349692 |
ZINC: | ZINC000100590871 |