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IPD

Summary
Name:D-MYO-INOSITOL-1-PHOSPHATE
Formula:C6 H11 O9 P
Formal charge:-2
Formula weight:258.12 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(1S,2R,3R,4S,5S,6R)-2,3,4,5,6-pentahydroxycyclohexyl phosphate
OpenEye OEToolkits1.7.6[(2R,3R,5S,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexyl] phosphate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=P([O-])([O-])OC1C(O)C(O)C(O)C(O)C1O
InChIInChI1.03InChI=1S/C6H13O9P/c7-1-2(8)4(10)6(5(11)3(1)9)15-16(12,13)14/h1-11H,(H2,12,13,14)/p-2/t1-,2-,3+,4-,5-,6-/m1/s1
InChIKeyInChI1.03INAPMGSXUVUWAF-UOTPTPDRSA-L
SMILES_CANONICALCACTVS3.370O[C@@H]1[C@@H](O)[C@@H](O)[C@@H](O[P]([O-])([O-])=O)[C@H](O)[C@H]1O
SMILESCACTVS3.370O[CH]1[CH](O)[CH](O)[CH](O[P]([O-])([O-])=O)[CH](O)[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.7.6[C@H]1([C@H](C([C@@H]([C@@H](C1O)O)O)OP(=O)([O-])[O-])O)O
SMILESOpenEye OEToolkits1.7.6C1(C(C(C(C(C1O)O)OP(=O)([O-])[O-])O)O)O

217705

PDB entries from 2024-03-27

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