Chemical Components in the PDB

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P2G : Summary

Code

P2G

One-letter code

X

Molecule name

(2S,4R,6R,6AS)-4-(2-AMINO-6-OXO-1,6-DIHYDROPURIN-9-YL)-6-(HYDROXYMETHYL)-TETRAHYDROFURO[3,4-D][1,3]DIOXOL-2-YLPHOSPHONI C ACID

Synonyms

GUANOSINE-2',3'-O-METHYLIDENEPHOSPHONATE

Systematic names

ProgramVersionName
ACDLabs 10.04 2',3'-O-(phosphonomethylidene)guanosine
OpenEye OEToolkits 1.5.0 [(2S,3aR,4R,6R,6aR)-6-(2-amino-6-oxo-1H-purin-9-yl)-4-(hydroxymethyl)-3a,4,6,6a-tetrahydrofuro[4,3-d][1,3]dioxol-2-yl]phosphonic acid

Formula

C11 H14 N5 O8 P

Formal charge

0

Molecular weight

375.231 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C4NC(=Nc1c4ncn1C3OC(C2OC(OC23)P(=O)(O)O)CO)N
SMILES CACTVS 3.341 NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH](CO)[CH]4O[CH](O[CH]34)[P](O)(O)=O
SMILES OpenEye OEToolkits 1.5.0 c1nc2c(n1C3C4C(C(O3)CO)OC(O4)P(=O)(O)O)N=C(NC2=O)N
Canonical SMILES CACTVS 3.341 NC1=Nc2n(cnc2C(=O)N1)[C@@H]3O[C@H](CO)[C@H]4O[C@@H](O[C@@H]34)[P](O)(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1nc2c(n1[C@H]3[C@H]4[C@@H]([C@H](O3)CO)O[C@@H](O4)P(=O)(O)O)N=C(NC2=O)N

IUPAC InChI

InChI=1S/C11H14N5O8P/c12-10-14-7-4(8(18)15-10)13-2-16(7)9-6-5(3(1-17)22-9)23-11(24-6)25(19,20)21/h2-3,5-6,9,11,17H,1H2,(H2,19,20,21)(H3,12,14,15,18)/t3-,5-,6-,9-,11+/m1/s1

IUPAC InChI key

GKAPYWCOOQBBHV-KXSYMAMXSA-N
P2G

wwPDB Information

Atom count

39 (25 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2005-08-04

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned