Chemical Components in the PDB

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IGA : Summary

Code

IGA

One-letter code

X

Molecule name

6-amino-3,7-dihydro-2H-purin-2-one

Systematic names

ProgramVersionName
ACDLabs 12.01 6-amino-3,7-dihydro-2H-purin-2-one
OpenEye OEToolkits 1.7.2 6-azanyl-3,7-dihydropurin-2-one

Formula

C5 H5 N5 O

Formal charge

0

Molecular weight

151.126 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C2N=C(c1c(ncn1)N2)N
SMILES CACTVS 3.370 NC1=NC(=O)Nc2nc[nH]c12
SMILES OpenEye OEToolkits 1.7.2 c1[nH]c2c(n1)NC(=O)N=C2N
Canonical SMILES CACTVS 3.370 NC1=NC(=O)Nc2nc[nH]c12
Canonical SMILES OpenEye OEToolkits 1.7.2 c1[nH]c2c(n1)NC(=O)N=C2N

IUPAC InChI

InChI=1S/C5H5N5O/c6-3-2-4(8-1-7-2)10-5(11)9-3/h1H,(H4,6,7,8,9,10,11)

IUPAC InChI key

DRAVOWXCEBXPTN-UHFFFAOYSA-N
IGA

wwPDB Information

Atom count

16 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-04-28

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned