Chemical Components in the PDB

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C3Y : Summary

Code

C3Y

One-letter code

C

Molecule name

S-[(1S)-1-HYDROXY-1-(HYDROXYAMINO)ETHYL]-L-CYSTEINE

Systematic names

ProgramVersionName
ACDLabs 10.04 S-[(1S)-1-hydroxy-1-(hydroxyamino)ethyl]-L-cysteine
OpenEye OEToolkits 1.5.0 (2R)-2-amino-3-[(1S)-1-hydroxy-1-(hydroxyamino)ethyl]sulfanyl-propanoic acid

Formula

C5 H12 N2 O4 S

Formal charge

0

Molecular weight

196.225 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(N)CSC(O)(NO)C
SMILES CACTVS 3.341 C[C](O)(NO)SC[CH](N)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 CC(NO)(O)SCC(C(=O)O)N
Canonical SMILES CACTVS 3.341 C[C@@](O)(NO)SC[C@H](N)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C[C@](NO)(O)SC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C5H12N2O4S/c1-5(10,7-11)12-2-3(6)4(8)9/h3,7,10-11H,2,6H2,1H3,(H,8,9)/t3-,5-/m0/s1

IUPAC InChI key

XIYHYGCLIYYYPL-UCORVYFPSA-N
C3Y

wwPDB Information

Atom count

24 (12 without Hydrogen)

Polymer type

Amino Acid

Type description

L-PEPTIDE LINKING

Type code

ATOMP

Is modified

Yes

Standard parent

CYS

Defined at

2007-04-02

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned