Chemical Components in the PDB

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ANG : Summary

Code

ANG

One-letter code

X

Molecule name

8-AMINOGUANINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2,8-diamino-1,9-dihydro-6H-purin-6-one
OpenEye OEToolkits 1.5.0 2,8-diamino-1,9-dihydropurin-6-one

Formula

C5 H6 N6 O

Formal charge

0

Molecular weight

166.141 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1c2nc(nc2N=C(N1)N)N
SMILES CACTVS 3.341 NC1=Nc2[nH]c(N)nc2C(=O)N1
SMILES OpenEye OEToolkits 1.5.0 c12c([nH]c(n1)N)N=C(NC2=O)N
Canonical SMILES CACTVS 3.341 NC1=Nc2[nH]c(N)nc2C(=O)N1
Canonical SMILES OpenEye OEToolkits 1.5.0 c12c([nH]c(n1)N)N=C(NC2=O)N

IUPAC InChI

InChI=1S/C5H6N6O/c6-4-8-1-2(9-4)10-5(7)11-3(1)12/h(H6,6,7,8,9,10,11,12)

IUPAC InChI key

WYDKPTZGVLTYPG-UHFFFAOYSA-N
ANG

wwPDB Information

Atom count

18 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-06-13

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned