|
8HG : Summary
Code
|
8HG
|
One-letter code
|
X
|
Molecule name
|
2'-DEOXY-8-OXOGUANOSINE
|
Systematic names
|
|
Formula
|
C10 H13 N5 O5
|
Formal charge
|
0
|
Molecular weight
|
283.241 Da
|
SMILES
|
Type | Program | Version | Descriptor |
SMILES
|
ACDLabs |
10.04 |
O=C1C=2NC(=O)N(C=2N=C(N)N1)C3OC(C(O)C3)CO |
SMILES
|
CACTVS |
3.341 |
NC1=NC2=C(NC(=O)N2[CH]3C[CH](O)[CH](CO)O3)C(=O)N1 |
SMILES
|
OpenEye OEToolkits |
1.5.0 |
C1C(C(OC1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO)O |
Canonical SMILES
|
CACTVS |
3.341 |
NC1=NC2=C(NC(=O)N2[C@H]3C[C@H](O)[C@@H](CO)O3)C(=O)N1 |
Canonical SMILES
|
OpenEye OEToolkits |
1.5.0 |
C1[C@@H]([C@H](O[C@H]1N2C3=C(C(=O)NC(=N3)N)NC2=O)CO)O |
|
IUPAC InChI | InChI=1S/C10H13N5O5/c11-9-13-7-6(8(18)14-9)12-10(19)15(7)5-1-3(17)4(2-16)20-5/h3-5,16-17H,1-2H2,(H,12,19)(H3,11,13,14,18)/t3-,4+,5+/m0/s1 |
IUPAC InChI key | HCAJQHYUCKICQH-VPENINKCSA-N |
|
wwPDB Information |
Atom count
|
33 (20 without Hydrogen)
|
Polymer type
|
Bound ligand
|
Type description
|
NON-POLYMER
|
Type code
|
HETAIN
|
Is modified
|
No
|
Standard parent
|
Not Assigned
|
Defined at
|
2004-10-21
|
Last modified at
|
2011-06-04
|
Status
|
Released
|
Obsoleted
|
Not Assigned
|
|