Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

CGV : Summary

Code

CGV

One-letter code

C

Molecule name

S-[(R)-carboxy(hydroxy)methyl]-L-cysteine

Systematic names

ProgramVersionName
ACDLabs 12.01 S-[(R)-carboxy(hydroxy)methyl]-L-cysteine
OpenEye OEToolkits 1.7.6 (2R)-2-azanyl-3-[(1R)-1,2-bis(oxidanyl)-2-oxidanylidene-ethyl]sulfanyl-propanoic acid

Formula

C5 H9 N O5 S

Formal charge

0

Molecular weight

195.194 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(O)C(O)SCC(C(=O)O)N
SMILES CACTVS 3.385 N[CH](CS[CH](O)C(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.6 C(C(C(=O)O)N)SC(C(=O)O)O
Canonical SMILES CACTVS 3.385 N[C@@H](CS[C@@H](O)C(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.6 C([C@@H](C(=O)O)N)S[C@H](C(=O)O)O

IUPAC InChI

InChI=1S/C5H9NO5S/c6-2(3(7)8)1-12-5(11)4(9)10/h2,5,11H,1,6H2,(H,7,8)(H,9,10)/t2-,5+/m0/s1

IUPAC InChI key

ROTCVIARKSMYOM-JLAZNSOCSA-N
CGV

wwPDB Information

Atom count

21 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

CYS

Defined at

2014-01-22

Last modified at

2014-10-10

Status

Released

Obsoleted

Not Assigned