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CIP

Summary
Name:INOSITOL-2-METHYLENE-1,2-CYCLIC-MONOPHOSPHATE
Formula:C7 H13 O7 P
Formal charge:0
Formula weight:240.148 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(2R,3aR,4S,5R,6S,7R,7aR)octahydro-1,2-benzoxaphosphole-2,4,5,6,7-pentol 2-oxide
OpenEye OEToolkits1.5.0(1R,2R,3S,4R,5S,6R,8R)-8-hydroxy-8-oxo-9-oxa-8$l^{5}-phosphabicyclo[4.3.0]nonane-2,3,4,5-tetrol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04O=P1(OC2C(C1)C(O)C(O)C(O)C2O)O
SMILES_CANONICALCACTVS3.341O[C@H]1[C@H](O)[C@@H](O)[C@@H]2O[P@@](O)(=O)C[C@@H]2[C@@H]1O
SMILESCACTVS3.341O[CH]1[CH](O)[CH](O)[CH]2O[P](O)(=O)C[CH]2[CH]1O
SMILES_CANONICALOpenEye OEToolkits1.5.0C1[C@@H]2[C@@H]([C@H]([C@@H]([C@H]([C@@H]2O[P@]1(=O)O)O)O)O)O
SMILESOpenEye OEToolkits1.5.0C1C2C(C(C(C(C2OP1(=O)O)O)O)O)O
InChIInChI1.03InChI=1S/C7H13O7P/c8-3-2-1-15(12,13)14-7(2)6(11)5(10)4(3)9/h2-11H,1H2,(H,12,13)/t2-,3+,4-,5+,6-,7-/m1/s1
InChIKeyInChI1.03HSPMBPCIFXNUBY-YXVPSNDASA-N

218853

PDB entries from 2024-04-24

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