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35G : Summary
Code
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35G
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One-letter code
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X
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Molecule name
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GUANOSINE-3',5'-MONOPHOSPHATE
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Systematic names
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Formula
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C10 H12 N5 O7 P
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Formal charge
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0
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Molecular weight
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345.205 Da
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SMILES
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Type | Program | Version | Descriptor |
SMILES
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ACDLabs |
12.01 |
O=C4NC(=Nc1c4ncn1C3OC2COP(=O)(OC2C3O)O)N |
SMILES
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CACTVS |
3.370 |
NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]4[CH]3O |
SMILES
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OpenEye OEToolkits |
1.7.0 |
c1nc2c(n1C3C(C4C(O3)COP(=O)(O4)O)O)N=C(NC2=O)N |
Canonical SMILES
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CACTVS |
3.370 |
NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@@H]4CO[P](O)(=O)O[C@H]4[C@H]3O |
Canonical SMILES
|
OpenEye OEToolkits |
1.7.0 |
c1nc2c(n1[C@H]3[C@@H]([C@H]4[C@H](O3)CO[P@@](=O)(O4)O)O)N=C(NC2=O)N |
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IUPAC InChI | InChI=1S/C10H12N5O7P/c11-10-13-7-4(8(17)14-10)12-2-15(7)9-5(16)6-3(21-9)1-20-23(18,19)22-6/h2-3,5-6,9,16H,1H2,(H,18,19)(H3,11,13,14,17)/t3-,5-,6-,9-/m1/s1 |
IUPAC InChI key | ZOOGRGPOEVQQDX-UUOKFMHZSA-N |
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wwPDB Information |
Atom count
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35 (23 without Hydrogen)
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Polymer type
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Bound ligand
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Type description
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NON-POLYMER
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Type code
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HETAIN
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Is modified
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No
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Standard parent
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Not Assigned
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Defined at
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1999-07-08
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Last modified at
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2011-06-04
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Status
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Released
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Obsoleted
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Not Assigned
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