Chemical Components in the PDB

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S24 : Summary

Code

S24

One-letter code

X

Molecule name

S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate

Systematic names

ProgramVersionName
ACDLabs 10.04 S-(2,4-dihydroxyphenyl) hydrogen thiocarbonate
OpenEye OEToolkits 1.5.0 (2,4-dihydroxyphenyl)sulfanylmethanoic acid

Formula

C7 H6 O4 S

Formal charge

0

Molecular weight

186.185 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(Sc1ccc(O)cc1O)O
SMILES CACTVS 3.341 OC(=O)Sc1ccc(O)cc1O
SMILES OpenEye OEToolkits 1.5.0 c1cc(c(cc1O)O)SC(=O)O
Canonical SMILES CACTVS 3.341 OC(=O)Sc1ccc(O)cc1O
Canonical SMILES OpenEye OEToolkits 1.5.0 c1cc(c(cc1O)O)SC(=O)O

IUPAC InChI

InChI=1S/C7H6O4S/c8-4-1-2-6(5(9)3-4)12-7(10)11/h1-3,8-9H,(H,10,11)

IUPAC InChI key

MFTAINZKTCOZPX-UHFFFAOYSA-N
S24

wwPDB Information

Atom count

18 (12 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2007-12-20

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned