Chemical Components in the PDB

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4AX : Summary

Code

4AX

One-letter code

X

Molecule name

(R)-4-AMINO-ISOXAZOLIDIN-3-ONE

Systematic names

ProgramVersionName
ACDLabs 10.04 (4R)-4-aminoisoxazolidin-3-one
OpenEye OEToolkits 1.5.0 (4R)-4-amino-1,2-oxazolidin-3-one

Formula

C3 H6 N2 O2

Formal charge

0

Molecular weight

102.092 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C1NOCC1N
SMILES CACTVS 3.341 N[CH]1CONC1=O
SMILES OpenEye OEToolkits 1.5.0 C1C(C(=O)NO1)N
Canonical SMILES CACTVS 3.341 N[C@@H]1CONC1=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C1[C@H](C(=O)NO1)N

IUPAC InChI

InChI=1S/C3H6N2O2/c4-2-1-7-5-3(2)6/h2H,1,4H2,(H,5,6)/t2-/m1/s1

IUPAC InChI key

DYDCUQKUCUHJBH-UWTATZPHSA-N
4AX

wwPDB Information

Atom count

13 (7 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2003-05-19

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned