Chemical Components in the PDB

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CYW : Summary

Code

CYW

One-letter code

C

Molecule name

S-[(2R)-2-hydroxypropanoyl]-L-cysteine

Synonyms

lactoylglutathione

Systematic names

ProgramVersionName
ACDLabs 12.01 S-[(2R)-2-hydroxypropanoyl]-L-cysteine
OpenEye OEToolkits 1.7.0 (2R)-2-azanyl-3-[(2R)-2-hydroxypropanoyl]sulfanyl-propanoic acid

Formula

C6 H11 N O4 S

Formal charge

0

Molecular weight

193.221 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(SCC(C(=O)O)N)C(O)C
SMILES CACTVS 3.370 C[CH](O)C(=O)SC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.7.0 CC(C(=O)SCC(C(=O)O)N)O
Canonical SMILES CACTVS 3.370 C[C@@H](O)C(=O)SC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.0 C[C@H](C(=O)SC[C@@H](C(=O)O)N)O

IUPAC InChI

InChI=1S/C6H11NO4S/c1-3(8)6(11)12-2-4(7)5(9)10/h3-4,8H,2,7H2,1H3,(H,9,10)/t3-,4+/m1/s1

IUPAC InChI key

SRTPBDVCLYHKFK-DMTCNVIQSA-N
CYW

wwPDB Information

Atom count

23 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

CYS

Defined at

2011-02-16

Last modified at

2011-07-13

Status

Released

Obsoleted

Not Assigned