Chemical Components in the PDB

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DHL : Summary

Code

DHL

One-letter code

X

Molecule name

2-AMINO-ETHANETHIOL

Synonyms

2,3-DESHYDROLANTHIONINE

Systematic names

ProgramVersionName
ACDLabs 10.04 2-aminoethanethiol
OpenEye OEToolkits 1.5.0 2-aminoethanethiol

Formula

C2 H7 N S

Formal charge

0

Molecular weight

77.149 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 SCCN
SMILES CACTVS 3.341 NCCS
SMILES OpenEye OEToolkits 1.5.0 C(CS)N
Canonical SMILES CACTVS 3.341 NCCS
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CS)N

IUPAC InChI

InChI=1S/C2H7NS/c3-1-2-4/h4H,1-3H2

IUPAC InChI key

UFULAYFCSOUIOV-UHFFFAOYSA-N
DHL

wwPDB Information

Atom count

11 (4 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

UNK

Defined at

1999-11-22

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned