Chemical Components in the PDB

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DTV : Summary

Code

DTV

One-letter code

X

Molecule name

(2S,3S)-1,4-DIMERCAPTOBUTANE-2,3-DIOL

Systematic names

ProgramVersionName
ACDLabs 10.04 (2S,3S)-1,4-disulfanylbutane-2,3-diol
OpenEye OEToolkits 1.5.0 (2S,3S)-1,4-bis-sulfanylbutane-2,3-diol

Formula

C4 H10 O2 S2

Formal charge

0

Molecular weight

154.251 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 SCC(O)C(O)CS
SMILES CACTVS 3.341 O[CH](CS)[CH](O)CS
SMILES OpenEye OEToolkits 1.5.0 C(C(C(CS)O)O)S
Canonical SMILES CACTVS 3.341 O[C@H](CS)[C@H](O)CS
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@H]([C@@H](CS)O)O)S

IUPAC InChI

InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m1/s1

IUPAC InChI key

VHJLVAABSRFDPM-QWWZWVQMSA-N
DTV

wwPDB Information

Atom count

18 (8 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2004-06-18

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned