Chemical Components in the PDB

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GDP : Summary

Code

GDP

One-letter code

G

Molecule name

GUANOSINE-5'-DIPHOSPHATE

Systematic names

ProgramVersionName
ACDLabs 12.01 guanosine 5'-(trihydrogen diphosphate)
OpenEye OEToolkits 1.7.6 [(2R,3S,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphono hydrogen phosphate

Formula

C10 H15 N5 O11 P2

Formal charge

0

Molecular weight

443.201 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
SMILES CACTVS 3.385 NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
SMILES OpenEye OEToolkits 1.7.6 c1nc2c(n1C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N
Canonical SMILES CACTVS 3.385 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO[P](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
Canonical SMILES OpenEye OEToolkits 1.7.6 c1nc2c(n1[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)OP(=O)(O)O)O)O)N=C(NC2=O)N

IUPAC InChI

InChI=1S/C10H15N5O11P2/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(25-9)1-24-28(22,23)26-27(19,20)21/h2-3,5-6,9,16-17H,1H2,(H,22,23)(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m1/s1

IUPAC InChI key

QGWNDRXFNXRZMB-UUOKFMHZSA-N
GDP

wwPDB Information

Atom count

43 (28 without Hydrogen)

Polymer type

Ribonucleotide

Type description

RNA LINKING

Type code

HETAIN

Is modified

Yes

Standard parent

G

Defined at

1999-07-08

Last modified at

2014-05-12

Status

Released

Obsoleted

Not Assigned