Chemical Components in the PDB

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HAE : Summary

Code

HAE

One-letter code

X

Molecule name

ACETOHYDROXAMIC ACID

Systematic names

ProgramVersionName
ACDLabs 10.04 N-hydroxyacetamide
OpenEye OEToolkits 1.5.0 N-hydroxyethanamide

Formula

C2 H5 N O2

Formal charge

0

Molecular weight

75.067 Da

SMILES

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

IUPAC InChI

InChI=1S/C2H5NO2/c1-2(4)3-5/h5H,1H3,(H,3,4)

IUPAC InChI key

RRUDCFGSUDOHDG-UHFFFAOYSA-N
HAE

wwPDB Information

Atom count

10 (5 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