Chemical Components in the PDB

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SGJ : Summary

Code

SGJ

One-letter code

X

Molecule name

1,4-dideoxy-4-thio-nojirimycin

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.6 (3~{S},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-5-sulfanyl-piperidine-3,4-diol

Formula

C6 H13 N O3 S

Formal charge

0

Molecular weight

179.237 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 OC[CH]1NC[CH](O)[CH](O)[CH]1S
SMILES OpenEye OEToolkits 2.0.6 C1C(C(C(C(N1)CO)S)O)O
Canonical SMILES CACTVS 3.385 OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1S
Canonical SMILES OpenEye OEToolkits 2.0.6 C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)S)O)O

IUPAC InChI

InChI=1S/C6H13NO3S/c8-2-3-6(11)5(10)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1

IUPAC InChI key

NSHHSUUKQHDEOL-JGWLITMVSA-N
SGJ

wwPDB Information

Atom count

24 (11 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2017-12-15

Last modified at

2019-01-25

Status

Released

Obsoleted

Not Assigned