Chemical Components in the PDB

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F7H : Summary

Code

F7H

One-letter code

C

Molecule name

4-azanyl-1-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 4-azanyl-1-[(1~{S},2~{R},4~{S},6~{S},8~{R})-2,6-bis(oxidanyl)-9-oxatricyclo[4.3.0.0^{2,4}]nonan-8-yl]-5-methyl-pyrimidin-2-one

Formula

C13 H17 N3 O4

Formal charge

0

Molecular weight

279.292 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CC1=CN([CH]2C[C]3(O)C[CH]4C[C]4(O)[CH]3O2)C(=O)N=C1N
SMILES OpenEye OEToolkits 2.0.6 CC1=CN(C(=O)N=C1N)C2CC3(CC4CC4(C3O2)O)O
Canonical SMILES CACTVS 3.385 CC1=CN([C@H]2C[C@@]3(O)C[C@@H]4C[C@]4(O)[C@H]3O2)C(=O)N=C1N
Canonical SMILES OpenEye OEToolkits 2.0.6 CC1=CN(C(=O)N=C1N)[C@H]2C[C@]3(C[C@@H]4C[C@@]4([C@H]3O2)O)O

IUPAC InChI

InChI=1S/C13H17N3O4/c1-6-5-16(11(17)15-9(6)14)8-4-12(18)2-7-3-13(7,19)10(12)20-8/h5,7-8,10,18-19H,2-4H2,1H3,(H2,14,15,17)/t7-,8-,10+,12+,13-/m1/s1

IUPAC InChI key

GKRDGXCEGWQOOW-ZIDZYHNGSA-N
F7H

wwPDB Information

Atom count

37 (20 without Hydrogen)

Polymer type

Deoxy ribonucleotide

Type description

DNA linking

Type code

ATOMN

Is modified

Yes

Standard parent

DC

Defined at

2018-06-06

Last modified at

2018-06-08

Status

Released

Obsoleted

Not Assigned