Chemical Components in the PDB

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3GC : Summary

Code

3GC

One-letter code

X

Molecule name

GAMMA-GLUTAMYLCYSTEINE

Systematic names

ProgramVersionName
ACDLabs 10.04 L-gamma-glutamyl-L-cysteine
OpenEye OEToolkits 1.5.0 (2S)-2-amino-5-[[(2R)-1-hydroxy-1-oxo-3-sulfanyl-propan-2-yl]amino]-5-oxo-pentanoic acid

Formula

C8 H14 N2 O5 S

Formal charge

0

Molecular weight

250.272 Da

SMILES

TypeProgramVersionDescriptor
SMILES ACDLabs 10.04 O=C(O)C(NC(=O)CCC(C(=O)O)N)CS
SMILES CACTVS 3.341 N[CH](CCC(=O)N[CH](CS)C(O)=O)C(O)=O
SMILES OpenEye OEToolkits 1.5.0 C(CC(=O)NC(CS)C(=O)O)C(C(=O)O)N
Canonical SMILES CACTVS 3.341 N[C@@H](CCC(=O)N[C@@H](CS)C(O)=O)C(O)=O
Canonical SMILES OpenEye OEToolkits 1.5.0 C(CC(=O)N[C@@H](CS)C(=O)O)[C@@H](C(=O)O)N

IUPAC InChI

InChI=1S/C8H14N2O5S/c9-4(7(12)13)1-2-6(11)10-5(3-16)8(14)15/h4-5,16H,1-3,9H2,(H,10,11)(H,12,13)(H,14,15)/t4-,5-/m0/s1

IUPAC InChI key

RITKHVBHSGLULN-WHFBIAKZSA-N
3GC

wwPDB Information

Atom count

30 (16 without Hydrogen)

Polymer type

Bound ligand

Type description

NON-POLYMER

Type code

HETAIN

Is modified

No

Standard parent

Not Assigned

Defined at

2002-07-01

Last modified at

2011-06-04

Status

Released

Obsoleted

Not Assigned