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OHG : Summary

Code

OHG

One-letter code

X

Molecule name

(2-methyl-1H-imidazol-4-yl)methanol

Systematic names

ProgramVersionName
ACDLabs 12.01 (2-methyl-1H-imidazol-4-yl)methanol
OpenEye OEToolkits 2.0.7 (2-methyl-1~{H}-imidazol-4-yl)methanol

Formula

C5 H8 N2 O

Formal charge

0

Molecular weight

112.13 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 Cc1nc(cn1)CO
SMILES CACTVS 3.385 Cc1[nH]cc(CO)n1
SMILES OpenEye OEToolkits 2.0.7 Cc1[nH]cc(n1)CO
Canonical SMILES CACTVS 3.385 Cc1[nH]cc(CO)n1
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1[nH]cc(n1)CO

IUPAC InChI

InChI=1S/C5H8N2O/c1-4-6-2-5(3-8)7-4/h2,8H,3H2,1H3,(H,6,7)

IUPAC InChI key

MQRMTENGXFRETM-UHFFFAOYSA-N
OHG

wwPDB Information

Atom count

16 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2019-06-25

Last modified at

2019-12-06

Status

Released

Obsoleted

Not Assigned