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O2G : Summary

Code

O2G

One-letter code

G

Molecule name

2'-DEOXY-N,N-DIMETHYL-5'-O-[OXIDO(OXO)PHOSPHONIO]GUANOSINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2'-deoxy-N,N-dimethylguanosine 5'-(dihydrogen phosphate)
OpenEye OEToolkits 1.6.1 [(2R,3S,5R)-5-(2-dimethylamino-6-oxo-1H-purin-9-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate

Formula

C12 H18 N5 O7 P

Formal charge

0

Molecular weight

375.274 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1c2ncn(c2N=C(N(C)C)N1)C3OC(C(O)C3)COP(=O)(O)O
SMILES CACTVS 3.352 CN(C)C1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)(O)=O)O3
SMILES OpenEye OEToolkits 1.6.1 CN(C)C1=Nc2c(ncn2C3CC(C(O3)COP(=O)(O)O)O)C(=O)N1
Canonical SMILES CACTVS 3.352 CN(C)C1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)(O)=O)O3
Canonical SMILES OpenEye OEToolkits 1.6.1 CN(C)C1=Nc2c(ncn2[C@H]3C[C@@H]([C@H](O3)COP(=O)(O)O)O)C(=O)N1

IUPAC InChI

InChI=1S/C12H18N5O7P/c1-16(2)12-14-10-9(11(19)15-12)13-5-17(10)8-3-6(18)7(24-8)4-23-25(20,21)22/h5-8,18H,3-4H2,1-2H3,(H,14,15,19)(H2,20,21,22)/t6-,7+,8+/m0/s1

IUPAC InChI key

CAVFKMBOCISJHQ-XLPZGREQSA-N
O2G

wwPDB Information

Atom count

43 (25 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA LINKING

Type code

ATOMN

Is modified

Yes

Standard parent

G

Defined at

2009-01-22

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned