Chemical Components in the PDB

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EZ4 : Summary

Code

EZ4

One-letter code

X

Molecule name

(2S,3R,4R)-2,3,4,5-tetrahydroxy-N-oxo-pentanamide

Systematic names

ProgramVersionName
ACDLabs 12.01 (2S,3R,4R)-2,3,4,5-tetrahydroxy-N-oxopentanamide (non-preferred name)
OpenEye OEToolkits 1.7.0 (2S,3R,4R)-2,3,4,5-tetrahydroxy-N-oxo-pentanamide

Formula

C5 H9 N O6

Formal charge

0

Molecular weight

179.128 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=NC(=O)C(O)C(O)C(O)CO
SMILES CACTVS 3.370 OC[CH](O)[CH](O)[CH](O)C(=O)N=O
SMILES OpenEye OEToolkits 1.7.0 C(C(C(C(C(=O)N=O)O)O)O)O
Canonical SMILES CACTVS 3.370 OC[C@@H](O)[C@@H](O)[C@H](O)C(=O)N=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C([C@H]([C@H]([C@@H](C(=O)N=O)O)O)O)O

IUPAC InChI

InChI=1S/C5H9NO6/c7-1-2(8)3(9)4(10)5(11)6-12/h2-4,7-10H,1H2/t2-,3-,4+/m1/s1

IUPAC InChI key

VIMQVNVKLDVNFU-JJYYJPOSSA-N
EZ4

wwPDB Information

Atom count

21 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2011-04-11

Last modified at

2012-04-06

Status

Released

Obsoleted

Not Assigned