Chemical Components in the PDB

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QNT : Summary

Code

QNT

One-letter code

C

Molecule name

3,6-dimethylcatechol cysteine

Systematic names

ProgramVersionName
OpenEye OEToolkits 2.0.7 (2~{R})-2-azanyl-3-[2,5-dimethyl-3,4-bis(oxidanyl)phenyl]sulfanyl-propanoic acid

Formula

C11 H15 N O4 S

Formal charge

0

Molecular weight

257.306 Da

SMILES

TypeProgramVersionDescriptor
SMILES CACTVS 3.385 Cc1cc(SC[CH](N)C(O)=O)c(C)c(O)c1O
SMILES OpenEye OEToolkits 2.0.7 Cc1cc(c(c(c1O)O)C)SCC(C(=O)O)N
Canonical SMILES CACTVS 3.385 Cc1cc(SC[C@H](N)C(O)=O)c(C)c(O)c1O
Canonical SMILES OpenEye OEToolkits 2.0.7 Cc1cc(c(c(c1O)O)C)SC[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C11H15NO4S/c1-5-3-8(6(2)10(14)9(5)13)17-4-7(12)11(15)16/h3,7,13-14H,4,12H2,1-2H3,(H,15,16)/t7-/m0/s1

IUPAC InChI key

UEMGXFDZIILASV-ZETCQYMHSA-N
QNT

wwPDB Information

Atom count

32 (17 without Hydrogen)

Polymer type

Amino Acid

Type description

L-peptide linking

Type code

ATOMP

Is modified

Yes

Standard parent

CYS

Defined at

2020-07-08

Last modified at

2020-12-18

Status

Released

Obsoleted

Not Assigned