GGM

3'-O-(N-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate

Created: 2011-08-03
Last modified:  2021-03-01

Help

Find related ligands:

Chemical Details

Formal Charge0
Atom Count66
Chiral Atom Count4
Bond Count69
Aromatic Bond Count11
2D diagram of GGM
Toggle HydrogenToggle Labels

Chemical Component Summary

Name3'-O-(N-methylanthraniloyl)-beta:gamma-imidoguanosine-5'-triphosphate
SynonymsMANT-GMPPNP
Systematic Name (OpenEye OEToolkits)[[[[(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3-[2-(methylamino)phenyl]carbonyloxy-4-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid
FormulaC18 H24 N7 O14 P3
Molecular Weight655.343
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01O=P(O)(O)NP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c2N=C(N)NC1=O)C(O)C4OC(=O)c3ccccc3NC
SMILESCACTVS3.370CNc1ccccc1C(=O)O[CH]2[CH](O)[CH](O[CH]2CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)n3cnc4C(=O)NC(=Nc34)N
SMILESOpenEye OEToolkits1.7.2CNc1ccccc1C(=O)OC2C(OC(C2O)n3cnc4c3N=C(NC4=O)N)COP(=O)(O)OP(=O)(NP(=O)(O)O)O
Canonical SMILESCACTVS3.370 CNc1ccccc1C(=O)O[C@H]2[C@@H](O)[C@@H](O[C@@H]2CO[P](O)(=O)O[P](O)(=O)N[P](O)(O)=O)n3cnc4C(=O)NC(=Nc34)N
Canonical SMILESOpenEye OEToolkits1.7.2 CNc1ccccc1C(=O)O[C@@H]2[C@H](O[C@H]([C@@H]2O)n3cnc4c3N=C(NC4=O)N)CO[P@](=O)(O)O[P@](=O)(NP(=O)(O)O)O
InChIInChI1.03 InChI=1S/C18H24N7O14P3/c1-20-9-5-3-2-4-8(9)17(28)38-13-10(6-36-42(34,35)39-41(32,33)24-40(29,30)31)37-16(12(13)26)25-7-21-11-14(25)22-18(19)23-15(11)27/h2-5,7,10,12-13,16,20,26H,6H2,1H3,(H,34,35)(H3,19,22,23,27)(H4,24,29,30,31,32,33)/t10-,12-,13-,16-/m1/s1
InChIKeyInChI1.03 ZGTKZICAFACDSP-XNIJJKJLSA-N

Related Resource References

Resource NameReference
PubChem 135475420, 9986793
ChEMBL CHEMBL398768