Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

OSM : Summary

Code

OSM

One-letter code

X

Molecule name

1-(OXIDOSULFANYL)METHANAMINE

Systematic names

ProgramVersionName
ACDLabs 10.04 1-(oxidosulfanyl)methanamine

Formula

C H5 N O S

Formal charge

0

Molecular weight

79.122 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=SCN
SMILES CACTVS 3.341 NC[SH]=O
SMILES OpenEye OEToolkits 1.5.0 C(N)S=O
Canonical SMILES CACTVS 3.341 NC[S@H]=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(N)[S@@H]=O

IUPAC InChI

InChI=1S/CH5NOS/c2-1-4-3/h4H,1-2H2

IUPAC InChI key

KONFWJXIYYGXOO-UHFFFAOYSA-N
OSM

wwPDB Information

Atom count

9 (4 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2006-03-31

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned