Chemical Components in the PDB

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H9L : Summary

Code

H9L

One-letter code

X

Molecule name

4-methylsulfanyl-2-oxidanyl-butanoic acid

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 4-methylsulfanyl-2-oxidanyl-butanoic acid

Formula

C5 H10 O3 S

Formal charge

0

Molecular weight

150.196 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 CSCC[CH](O)C(O)=O
SMILES OpenEye OEToolkits 2.0.7 CSCCC(C(=O)O)O
Canonical SMILES CACTVS 3.385 CSCC[C@@H](O)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.7 CSCCC(C(=O)O)O

IUPAC InChI

InChI=1S/C5H10O3S/c1-9-3-2-4(6)5(7)8/h4,6H,2-3H2,1H3,(H,7,8)

IUPAC InChI key

ONFOSYPQQXJWGS-UHFFFAOYSA-N
H9L

wwPDB Information

Atom count

19 (9 without Hydrogen)

Polymer type

Bound ligand

Type description

non-polymer

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2020-12-07

Last modified at

2022-05-27

Status

Released

Obsoleted

Not Assigned