Chemical Components in the PDB

pdbe.org/chem
spacer

CSO : Summary

Code

CSO

One-letter code

C

Molecule name

S-HYDROXYCYSTEINE

Systematic names

ProgramVersionName
ACDLabs 10.04 S-hydroxy-L-cysteine
OpenEye OEToolkits 1.5.0 (2R)-2-amino-3-hydroxysulfanyl-propanoic acid

Formula

C3 H7 N O3 S

Formal charge

0

Molecular weight

137.158 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CSO
SMILES CACTVS 3.341 N[CH](CSO)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(C(C(=O)O)N)SO
Canonical SMILES CACTVS 3.341 N[C@@H](CSO)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C([C@@H](C(=O)O)N)SO

IUPAC InChI

InChI=1S/C3H7NO3S/c4-2(1-8-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1

IUPAC InChI key

FXIRVRPOOYSARH-REOHCLBHSA-N
CSO

wwPDB Information

Atom count

15 (8 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

CYS

Defined at

1999-07-08

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned