Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

HDA : Summary

Code

HDA

One-letter code

X

Molecule name

HADACIDIN

Systematic names

ProgramVersionName
ACDLabs 12.01 N-formyl-N-hydroxyglycine
OpenEye OEToolkits 1.7.0 2-[hydroxy(methanoyl)amino]ethanoic acid

Formula

C3 H5 N O4

Formal charge

0

Molecular weight

119.076 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)CN(O)C=O
SMILES CACTVS 3.370 ON(CC(O)=O)C=O
SMILES OpenEye OEToolkits 1.7.0 C(C(=O)O)N(C=O)O
Canonical SMILES CACTVS 3.370 ON(CC(O)=O)C=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C(C(=O)O)N(C=O)O

IUPAC InChI

InChI=1S/C3H5NO4/c5-2-4(8)1-3(6)7/h2,8H,1H2,(H,6,7)

IUPAC InChI key

URJHVPKUWOUENU-UHFFFAOYSA-N
HDA

wwPDB Information

Atom count

13 (8 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