GTX

S-HEXYLGLUTATHIONE

Created:	1999-07-08
Last modified:	2011-06-04

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39 entries where GTX is found as a standalone ligand

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Chemical Details
Formal Charge	1
Atom Count	56
Chiral Atom Count	2
Bond Count	55
Aromatic Bond Count	0

2D diagram of GTX

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Chemical Component Summary
Name	S-HEXYLGLUTATHIONE
Systematic Name (OpenEye OEToolkits)	[(2S)-5-[[(2R)-1-(carboxymethylamino)-3-hexylsulfanyl-1-oxo-propan-2-yl]amino]-1-hydroxy-1,5-dioxo-pentan-2-yl]azanium
Formula	C₁₆ H₃₀ N₃ O₆ S
Molecular Weight	392.491
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CNC(=O)C(NC(=O)CCC(C(=O)O)[NH3+])CSCCCCCC
SMILES	CACTVS	3.341	CCCCCCSC[CH](NC(=O)CC[CH]([NH3+])C(O)=O)C(=O)NCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCSCC(C(=O)NCC(=O)O)NC(=O)CCC(C(=O)O)[NH3+]
Canonical SMILES	CACTVS	3.341	CCCCCCSC[C@H](NC(=O)CC[C@H]([NH3+])C(O)=O)C(=O)NCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCSC[C@@H](C(=O)NCC(=O)O)NC(=O)CC[C@@H](C(=O)O)[NH3+]
InChI	InChI	1.03	InChI=1S/C16H29N3O6S/c1-2-3-4-5-8-26-10-12(15(23)18-9-14(21)22)19-13(20)7-6-11(17)16(24)25/h11-12H,2-10,17H2,1H3,(H,18,23)(H,19,20)(H,21,22)(H,24,25)/p+1/t11-,12-/m0/s1
InChIKey	InChI	1.03	HXJDWCWJDCOHDG-RYUDHWBXSA-O

Related Resource References

Resource Name	Reference
PubChem	445875

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.