Chemical Components in the PDB

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OHI : Summary

Code

OHI

One-letter code

H

Molecule name

3-(2-OXO-2H-IMIDAZOL-4-YL)-L-ALANINE

Systematic names

ProgramVersionName
ACDLabs 10.04 3-(2-oxo-2H-imidazol-4-yl)-L-alanine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-3-(2-oxoimidazol-4-yl)propanoic acid

Formula

C6 H7 N3 O3

Formal charge

0

Molecular weight

169.138 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1N=C(C=N1)CC(N)C(=O)O
SMILES CACTVS 3.341 N[CH](CC1=NC(=O)N=C1)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C1=NC(=O)N=C1CC(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](CC1=NC(=O)N=C1)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1=NC(=O)N=C1C[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C6H7N3O3/c7-4(5(10)11)1-3-2-8-6(12)9-3/h2,4H,1,7H2,(H,10,11)/t4-/m0/s1

IUPAC InChI key

MWUSZYAURGSGRY-BYPYZUCNSA-N
OHI

wwPDB Information

Atom count

19 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

HIS

Defined at

2007-07-10

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned