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ZDO : Summary

Code

ZDO

One-letter code

X

Molecule name

methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside

Systematic names

ProgramVersionName
ACDLabs 12.01 methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside
OpenEye OEToolkits 1.7.6 [(2S,3R,4R,5S,6R)-2-methoxy-4,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-3-yl]sulfamic acid

Formula

C7 H15 N O11 S2

Formal charge

0

Molecular weight

353.324 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=S(=O)(O)OCC1OC(OC)C(NS(=O)(=O)O)C(O)C1O
SMILES CACTVS 3.370 CO[CH]1O[CH](CO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1N[S](O)(=O)=O
SMILES OpenEye OEToolkits 1.7.6 COC1C(C(C(C(O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O
Canonical SMILES CACTVS 3.370 CO[C@H]1O[C@H](CO[S](O)(=O)=O)[C@@H](O)[C@H](O)[C@H]1N[S](O)(=O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COS(=O)(=O)O)O)O)NS(=O)(=O)O

IUPAC InChI

InChI=1S/C7H15NO11S2/c1-17-7-4(8-20(11,12)13)6(10)5(9)3(19-7)2-18-21(14,15)16/h3-10H,2H2,1H3,(H,11,12,13)(H,14,15,16)/t3-,4-,5-,6-,7+/m1/s1

IUPAC InChI key

UWLKUQLVRABNAG-GKHCUFPYSA-N
ZDO

wwPDB Information

Atom count

36 (21 without Hydrogen)

Polymer type

Saccharide

Type description

D-saccharide

Type code

ATOMS

Is modified

Yes

Standard parent

PA1

Defined at

2012-12-19

Last modified at

2020-07-17

Status

Released

Obsoleted

Not Assigned