Chemical Components in the PDB

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M1A : Summary

Code

M1A

One-letter code

X

Molecule name

6-AMINO-1-METHYLPURINE

Systematic names

ProgramVersionName
ACDLabs 10.04 6-amino-1-methyl-9H-purin-1-ium
OpenEye OEToolkits 1.5.0 1-methyl-9H-purin-1-ium-6-amine

Formula

C6 H8 N5

Formal charge

1

Molecular weight

150.161 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1c[n+](c(c2ncnc12)N)C
SMILES CACTVS 3.341 C[n+]1cnc2[nH]cnc2c1N
SMILES OpenEye OEToolkits 1.5.0 C[n+]1cnc2c(c1N)nc[nH]2
Canonical SMILES CACTVS 3.341 C[n+]1cnc2[nH]cnc2c1N
Canonical SMILES OpenEye OEToolkits 1.5.0 C[n+]1cnc2c(c1N)nc[nH]2

IUPAC InChI

InChI=1S/C6H7N5/c1-11-3-10-6-4(5(11)7)8-2-9-6/h2-3H,1H3,(H2,7,8,9)/p+1

IUPAC InChI key

DYGBIJOMQSXREB-UHFFFAOYSA-O
M1A

wwPDB Information

Atom count

19 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned