Chemical Components in the PDB

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STZ : Summary

Code

STZ

One-letter code

X

Molecule name

Streptozotocin

Synonyms

2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-beta-D-glucopyranose

Systematic names

ProgramVersionName
ACDLabs 10.04 2-deoxy-2-{[methyl(nitroso)carbamoyl]amino}-beta-D-glucopyranose
OpenEye OEToolkits 1.6.1 1-methyl-1-nitroso-3-[(2R,3R,4R,5S,6R)-2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]urea

Formula

C8 H15 N3 O7

Formal charge

0

Molecular weight

265.221 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=NN(C(=O)NC1C(O)C(O)C(OC1O)CO)C
SMILES CACTVS 3.352 CN(N=O)C(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
SMILES OpenEye OEToolkits 1.6.1 CN(C(=O)NC1C(C(C(OC1O)CO)O)O)N=O
Canonical SMILES CACTVS 3.352 CN(N=O)C(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O
Canonical SMILES OpenEye OEToolkits 1.6.1 CN(C(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1O)CO)O)O)N=O

IUPAC InChI

InChI=1S/C8H15N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,12-15H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7-/m1/s1

IUPAC InChI key

ZSJLQEPLLKMAKR-NYMZXIIRSA-N
STZ

wwPDB Information

Atom count

33 (18 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide, beta linking

Type code

ATOMS

Is modified

Yes

Standard parent

GCS

Defined at

2008-12-02

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned