Chemical Components in the PDB

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SMC : Summary

Code

SMC

One-letter code

C

Molecule name

S-METHYLCYSTEINE

Systematic names

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

Formula

C4 H9 N O2 S

Formal charge

0

Molecular weight

135.185 Da

SMILES

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

IUPAC InChI

InChI=1S/C4H9NO2S/c1-8-2-3(5)4(6)7/h3H,2,5H2,1H3,(H,6,7)/t3-/m0/s1

IUPAC InChI key

IDIDJDIHTAOVLG-VKHMYHEASA-N
SMC

wwPDB Information

Atom count

17 (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

2023-11-03

Status

Released

Obsoleted

Not Assigned