Chemical Components in the PDB

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6KM : Summary

Code

6KM

One-letter code

X

Molecule name

S-propanoyl-L-cysteine

Systematic names

ProgramVersionName
ACDLabs 12.01 S-propanoyl-L-cysteine
OpenEye OEToolkits 2.0.4 (2~{R})-2-azanyl-3-propanoylsulfanyl-propanoic acid

Formula

C6 H11 N O3 S

Formal charge

0

Molecular weight

177.221 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 NC(CSC(CC)=O)C(=O)O
SMILES CACTVS 3.385 CCC(=O)SC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 2.0.4 CCC(=O)SCC(C(=O)O)N
Canonical SMILES CACTVS 3.385 CCC(=O)SC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 2.0.4 CCC(=O)SC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C6H11NO3S/c1-2-5(8)11-3-4(7)6(9)10/h4H,2-3,7H2,1H3,(H,9,10)/t4-/m0/s1

IUPAC InChI key

PFQQQKYLKYCDDY-BYPYZUCNSA-N
6KM

wwPDB Information

Atom count

22 (11 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

No

Standard parent

Not Assigned

Defined at

2016-04-22

Last modified at

2024-09-27

Status

Released

Obsoleted

Not Assigned