Chemical Components in the PDB

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NHY : Summary

Code

NHY

One-letter code

X

Molecule name

N-HYDROXYUREA

Synonyms

1-HYDROXYUREA

Systematic names

ProgramVersionName
ACDLabs 10.04 1-hydroxyurea
OpenEye OEToolkits 1.5.0 hydroxyurea

Formula

C H4 N2 O2

Formal charge

0

Molecular weight

76.055 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(N)NO
SMILES CACTVS 3.341 NC(=O)NO
SMILES OpenEye OEToolkits 1.5.0 C(=O)(N)NO
Canonical SMILES CACTVS 3.341 NC(=O)NO
Canonical SMILES OpenEye OEToolkits 1.5.0 C(=O)(N)NO

IUPAC InChI

InChI=1S/CH4N2O2/c2-1(4)3-5/h5H,(H3,2,3,4)

IUPAC InChI key

VSNHCAURESNICA-UHFFFAOYSA-N
NHY

wwPDB Information

Atom count

9 (5 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-03-22

Last modified at

2020-06-17

Status

Released

Obsoleted

Not Assigned