Chemical Components in the PDB

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SCY : Summary

Code

SCY

One-letter code

C

Molecule name

S-ACETYL-CYSTEINE

Systematic names

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

Formula

C5 H9 N O3 S

Formal charge

0

Molecular weight

163.195 Da

SMILES

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

IUPAC InChI

InChI=1S/C5H9NO3S/c1-3(7)10-2-4(6)5(8)9/h4H,2,6H2,1H3,(H,8,9)/t4-/m0/s1

IUPAC InChI key

XCIRMLHOFVDUDP-BYPYZUCNSA-N
SCY

wwPDB Information

Atom count

19 (10 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