Chemical Components in the PDB

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HMH : Summary

Code

HMH

One-letter code

X

Molecule name

4-AMINO-5-HYDROXYMETHYL-2-METHYLPYRIMIDINE

Systematic names

ProgramVersionName
ACDLabs 10.04 (4-amino-2-methylpyrimidin-5-yl)methanol
OpenEye OEToolkits 1.5.0 (4-amino-2-methyl-pyrimidin-5-yl)methanol

Formula

C6 H9 N3 O

Formal charge

0

Molecular weight

139.155 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 n1c(N)c(cnc1C)CO
SMILES CACTVS 3.341 Cc1ncc(CO)c(N)n1
SMILES OpenEye OEToolkits 1.5.0 Cc1ncc(c(n1)N)CO
Canonical SMILES CACTVS 3.341 Cc1ncc(CO)c(N)n1
Canonical SMILES OpenEye OEToolkits 1.5.0 Cc1ncc(c(n1)N)CO

IUPAC InChI

InChI=1S/C6H9N3O/c1-4-8-2-5(3-10)6(7)9-4/h2,10H,3H2,1H3,(H2,7,8,9)

IUPAC InChI key

VUTBELPREDJDDH-UHFFFAOYSA-N
HMH

wwPDB Information

Atom count

19 (10 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2001-09-13

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned