Chemical Components in the PDB

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5AC : Summary

Code

5AC

One-letter code

X

Molecule name

5-amino-1H-imidazole-4-carboxamide

Systematic names

ProgramVersionName
ACDLabs 10.04 5-amino-1H-imidazole-4-carboxamide
OpenEye OEToolkits 1.5.0 5-amino-1H-imidazole-4-carboxamide

Formula

C4 H6 N4 O

Formal charge

0

Molecular weight

126.117 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(N)c1ncnc1N
SMILES CACTVS 3.341 NC(=O)c1nc[nH]c1N
SMILES OpenEye OEToolkits 1.5.0 c1[nH]c(c(n1)C(=O)N)N
Canonical SMILES CACTVS 3.341 NC(=O)c1nc[nH]c1N
Canonical SMILES OpenEye OEToolkits 1.5.0 c1[nH]c(c(n1)C(=O)N)N

IUPAC InChI

InChI=1S/C4H6N4O/c5-3-2(4(6)9)7-1-8-3/h1H,5H2,(H2,6,9)(H,7,8)

IUPAC InChI key

DVNYTAVYBRSTGK-UHFFFAOYSA-N
5AC

wwPDB Information

Atom count

15 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2008-03-31

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned