Chemical Components in the PDB

pdbe.org/chem
wwPDB
EMDataBank
spacer

08P : Summary

Code

08P

One-letter code

C

Molecule name

N-(carboxycarbonyl)-D-cysteine

Synonyms

N-oxalyl-D-cysteine

Systematic names

ProgramVersionName
ACDLabs 12.01 N-(carboxycarbonyl)-D-cysteine
OpenEye OEToolkits 1.7.2 (2S)-2-(carboxycarbonylamino)-3-sulfanyl-propanoic acid

Formula

C5 H7 N O5 S

Formal charge

0

Molecular weight

193.178 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 12.01 O=C(C(=O)O)NC(C(=O)O)CS
SMILES CACTVS 3.370 OC(=O)[CH](CS)NC(=O)C(O)=O
SMILES OpenEye OEToolkits 1.7.2 C(C(C(=O)O)NC(=O)C(=O)O)S
Canonical SMILES CACTVS 3.370 OC(=O)[C@@H](CS)NC(=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.7.2 C([C@H](C(=O)O)NC(=O)C(=O)O)S

IUPAC InChI

InChI=1S/C5H7NO5S/c7-3(5(10)11)6-2(1-12)4(8)9/h2,12H,1H2,(H,6,7)(H,8,9)(H,10,11)/t2-/m1/s1

IUPAC InChI key

JOFZGZRXVKSFKN-UWTATZPHSA-N
08P

wwPDB Information

Atom count

19 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

D-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

DCY

Defined at

2011-10-17

Last modified at

2021-03-01

Status

Released

Obsoleted

Not Assigned