GTS

GLUTATHIONE SULFONIC ACID

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

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16 entries where GTS is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	2
Bond Count	39
Aromatic Bond Count	0

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Chemical Component Summary
Name	GLUTATHIONE SULFONIC ACID
Systematic Name (OpenEye OEToolkits)	(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-1-oxo-3-sulfo-propan-2-yl]amino]-5-oxo-pentanoic acid
Formula	C₁₀ H₁₇ N₃ O₉ S
Molecular Weight	355.322
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(NC(C(=O)NCC(=O)O)CS(=O)(=O)O)CCC(C(=O)O)N
SMILES	CACTVS	3.341	N[CH](CCC(=O)N[CH](C[S](O)(=O)=O)C(=O)NCC(O)=O)C(O)=O
SMILES	OpenEye OEToolkits	1.5.0	C(CC(=O)NC(CS(=O)(=O)O)C(=O)NCC(=O)O)C(C(=O)O)N
Canonical SMILES	CACTVS	3.341	N[C@@H](CCC(=O)N[C@@H](C[S](O)(=O)=O)C(=O)NCC(O)=O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(CC(=O)N[C@@H](CS(=O)(=O)O)C(=O)NCC(=O)O)[C@@H](C(=O)O)N
InChI	InChI	1.03	InChI=1S/C10H17N3O9S/c11-5(10(18)19)1-2-7(14)13-6(4-23(20,21)22)9(17)12-3-8(15)16/h5-6H,1-4,11H2,(H,12,17)(H,13,14)(H,15,16)(H,18,19)(H,20,21,22)/t5-,6-/m0/s1
InChIKey	InChI	1.03	QGWRMTHFAZVWAM-WDSKDSINSA-N

Drug Info: DrugBank

DrugBank ID	DB03003
Name	Glutathione sulfonic acid
Groups	experimental
Synonyms	Glutathione sulfonic acid
CAS number	3773-07-7

Drug Targets

Name	Target Sequence	Pharmacological Action
Glutathione S-transferase Mu 4	MSMTLGYWDIRGLAHAIRLLLEYTDSSYEEKKYTMGDAPDYDRSQWLNEK...	unknown
Glutathione S-transferase A1	MAEKPKLHYFNARGRMESTRWLLAAAGVEFEEKFIKSAEDLDKLRNDGYL...	unknown
Glutathione S-transferase P	MPPYTVVYFPVRGRCAALRMLLADQGQSWKEEVVTVETWQEGSLKASCLY...	unknown
Glutathione S-transferase GstA	MKLFYKPGACSLASHITLRESGKDFTLVSVDLMKKRLENGDDYFAVNPKG...	unknown

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682