Chemical Components in the PDB

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CSR : Summary

Code

CSR

One-letter code

C

Molecule name

S-ARSONOCYSTEINE

Systematic names

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

Formula

C3 H8 As N O5 S

Formal charge

0

Molecular weight

245.086 Da

SMILES

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

IUPAC InChI

InChI=1S/C3H8AsNO5S/c5-2(3(6)7)1-11-4(8,9)10/h2H,1,5H2,(H,6,7)(H2,8,9,10)/t2-/m0/s1

IUPAC InChI key

XSWAJYRRDHPZDP-REOHCLBHSA-N
CSR

wwPDB Information

Atom count

19 (11 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

CYS

Defined at

2001-09-19

Last modified at

2023-11-03

Status

Released

Obsoleted

Not Assigned