Chemical Components in the PDB

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B8W : Summary

Code

B8W

One-letter code

G

Molecule name

6-methyl, guanosine-5'-monophosphate

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 [(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-methoxy-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate

Formula

C11 H16 N5 O8 P

Formal charge

0

Molecular weight

377.247 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 COc1nc(N)nc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
SMILES OpenEye OEToolkits 2.0.6 COc1c2c(nc(n1)N)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O
Canonical SMILES CACTVS 3.385 COc1nc(N)nc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
Canonical SMILES OpenEye OEToolkits 2.0.6 COc1c2c(nc(n1)N)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O

IUPAC InChI

InChI=1S/C11H16N5O8P/c1-22-9-5-8(14-11(12)15-9)16(3-13-5)10-7(18)6(17)4(24-10)2-23-25(19,20)21/h3-4,6-7,10,17-18H,2H2,1H3,(H2,12,14,15)(H2,19,20,21)/t4-,6-,7-,10-/m1/s1

IUPAC InChI key

LGIVPNCELBIIMS-KQYNXXCUSA-N
B8W

wwPDB Information

Atom count

41 (25 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA linking

Type code

ATOMN

Is modified

Yes

Standard parent

G

Defined at

2017-09-25

Last modified at

2019-04-30

Status

Released

Obsoleted

Not Assigned