Chemical Components in the PDB

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HGA : Summary

Code

HGA

One-letter code

X

Molecule name

GLUTAMINE HYDROXAMATE

Systematic names

ProgramVersionName
ACDLabs 10.04 N-hydroxy-L-glutamine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-5-(hydroxyamino)-5-oxo-pentanoic acid

Formula

C5 H10 N2 O4

Formal charge

0

Molecular weight

162.144 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(NO)CCC(C(=O)O)N
SMILES CACTVS 3.341 N[CH](CCC(=O)NO)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(CC(=O)NO)C(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](CCC(=O)NO)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CC(=O)NO)[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C5H10N2O4/c6-3(5(9)10)1-2-4(8)7-11/h3,11H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1

IUPAC InChI key

YVGZXTQJQNXIAU-VKHMYHEASA-N
HGA

wwPDB Information

Atom count

21 (11 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