TS4

GLUTATHIONYLSPERMIDINE DISULFIDE

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Chemical Component Summary
Name	GLUTATHIONYLSPERMIDINE DISULFIDE
Identifiers	(2R)-2-amino-5-[[(2R)-1-[[2-[3-(4-aminobutylamino)propylamino]-2-oxo-ethyl]amino]-3-[(2R)-3-[[2-[3-(4-aminobutylamino)propylamino]-2-oxo-ethyl]amino]-2-[[(4R)-4-amino-5-hydroxy-5-oxo-pentanoyl]amino]-3-oxo-propyl]disulfanyl-1-oxo-propan-2-yl]amino]-5-oxo-pentanoic acid
Formula	C₃₄ H₆₆ N₁₂ O₁₀ S₂
Molecular Weight	867.092
Type	NON-POLYMER
Isomeric SMILES	C(CCNCCCNC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)NCCCNCCCCN)NC(=O)CC[C@H](C(=O)O)N)NC(=O)CC[C@H](C(=O)O)N)CN
InChI	InChI=1S/C34H66N12O10S2/c35-11-1-3-13-39-15-5-17-41-29(49)19-43-31(51)25(45-27(47)9-7-23(37)33(53)54)21-57-58-22-26(46-28(48)10-8-24(38)34(55)56)32(52)44-20-30(50)42-18-6-16-40-14-4-2-12-36/h23-26,39-40H,1-22,35-38H2,(H,41,49)(H,42,50)(H,43,51)(H,44,52)(H,45,47)(H,46,48)(H,53,54)(H,55,56)/t23-,24-,25+,26+/m1/s1
InChIKey	HCMZDPYSWPSKSP-XPGKHFPBSA-N

Chemical Details
Formal Charge	0
Atom Count	124
Chiral Atom Count	4
Bond Count	123
Aromatic Bond Count	0

Drug Info: DrugBank

DrugBank ID	DB02553
Name	Glutathionylspermidine disulfide
Groups	experimental
Synonyms	Glutathionylspermidine disulfide

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Glutathione reductase, mitochondrial	MALLPRALSAGAGPSWRRAARAFRGFLLLLPEPAALTRALSRAMACRQEP...	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