GDO
3'-deoxy-guanosine 5'-monophosphate
Created: | 2012-04-11 |
Last modified: | 2012-04-11 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 37 |
Chiral Atom Count | 3 |
Bond Count | 39 |
Aromatic Bond Count | 5 |
Chemical Component Summary | |
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Name | 3'-deoxy-guanosine 5'-monophosphate |
Systematic Name (OpenEye OEToolkits) | [(2S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-4-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
Formula | C10 H14 N5 O7 P |
Molecular Weight | 347.221 |
Type | RNA LINKING |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=P(O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3 |
SMILES | CACTVS | 3.370 | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(O)=O)C[CH]3O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1nc2c(n1C3C(CC(O3)COP(=O)(O)O)O)N=C(NC2=O)N |
Canonical SMILES | CACTVS | 3.370 | NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(O)=O)C[C@H]3O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | c1nc2c(n1[C@H]3[C@@H](C[C@H](O3)COP(=O)(O)O)O)N=C(NC2=O)N |
InChI | InChI | 1.03 | InChI=1S/C10H14N5O7P/c11-10-13-7-6(8(17)14-10)12-3-15(7)9-5(16)1-4(22-9)2-21-23(18,19)20/h3-5,9,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,9+/m0/s1 |
InChIKey | InChI | 1.03 | FDFODSATEZEUMJ-OBXARNEKSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 135566825, 13254458 |