Chemical Components in the PDB

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NOJ : Summary

Code

NOJ

One-letter code

X

Molecule name

1-DEOXYNOJIRIMYCIN

Synonyms

MORANOLINE

Systematic names

ProgramVersionName
ACDLabs 12.01 (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol
OpenEye OEToolkits 1.7.0 (2R,3R,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol

Formula

C6 H13 N O4

Formal charge

0

Molecular weight

163.172 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 OC1C(NCC(O)C1O)CO
SMILES CACTVS 3.370 OC[CH]1NC[CH](O)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.7.0 C1C(C(C(C(N1)CO)O)O)O
Canonical SMILES CACTVS 3.370 OC[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.7.0 C1[C@@H]([C@H]([C@@H]([C@H](N1)CO)O)O)O

IUPAC InChI

InChI=1S/C6H13NO4/c8-2-3-5(10)6(11)4(9)1-7-3/h3-11H,1-2H2/t3-,4+,5-,6-/m1/s1

IUPAC InChI key

LXBIFEVIBLOUGU-JGWLITMVSA-N
NOJ

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

1999-07-08

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned