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trypanothione

PropertiesImage
MNX_IDMNXM1596 Image of MNXM1596
referencechebi:58290
formulaC27H50N9O10S2
global charge1
mol weight724.884
InChIKeyPHDOXVGRXXAYEB-VJANTYMQSA-O
InChIInChI=1S/C27H49N9O10S2/c28-16(26(43)44)4-6-20(37)35-18(14-47)24(41)33-12-22(39)31-10-2-1-8-30-9-3-11-32-23(40)13-34-25(42)19(15-48)36-21(38)7-5-17(29)27(45)46/h16-19,30,47-48H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/p+1/t16-,17-,18-,19-/m0/s1
SMILES[NH3+][C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCCCC[NH2+]CCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C27H49N9O10S2/c28-16(26(43)44)4-6-20(37)35-18(14-47)24(41)33-12-22(39)31-10-2-1-8-30-9-3-11-32-23(40)13-34-25(42)19(15-48)36-21(38)7-5-17(29)27(45)46/h16-19,30,47-48H,1-15,28-29H2,(H,31,39)(H,32,40)(H,33,41)(H,34,42)(H,35,37)(H,36,38)(H,43,44)(H,45,46)/t16-,17-,18-,19-/m0/s1 Image of MNXM1596
SMILES (mnx)[CH2:1]([CH2:2][CH2:10][N:31]=[C:22]([CH2:12][N:33]=[C:24]([C@H:18]([CH2:14][SH:47])[N:35]=[C:20]([CH2:6][CH2:4][C@@H:16]([C:26](=[O:43])[OH:44])[NH2:28])[OH:37])[OH:41])[OH:39])[CH2:8][NH:30][CH2:9][CH2:3][CH2:11][N:32]=[C:23]([CH2:13][N:34]=[C:25]([C@H:19]([CH2:15][SH:48])[N:36]=[C:21]([CH2:7][CH2:5][C@@H:17]([C:27](=[O:45])[OH:46])[NH2:29])[OH:38])[OH:42])[OH:40]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)18
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58290
chebi:58290
PHDOXVGRXXAYEB-VJANTYMQSA-O 		trypanothione
(2S,7R,26R,31S)-2,31-diazaniumyl-5,8,11,22,25,28-hexaoxo-7,26-bis(sulfanylmethyl)-6,9,12,21,24,27-hexaaza-16-azoniadotriacontane-1,32-dioate
trypanothione cation
trypanothione(1+)

vmhM:bisgsprmdn
vmhmetabolite:bisgsprmdn
PHDOXVGRXXAYEB-VJANTYMQSA-N 		N1,N8-Bis(glutathionyl)spermidine

sabiork.compound:2688
sabiorkM:2688
PHDOXVGRXXAYEB-VJANTYMQSA-N 		Reduced trypanothione
N1,N8-Bis-(gamma-L-glutamyl-L-cysteinyl-glycyl)-spermidine
N1,N8-Bis-(glutathionyl)spermidine
TSH
Trypanothione

seed.compound:cpd01418
seedM:cpd01418
PHDOXVGRXXAYEB-VJANTYMQSA-M 		TSH
N1,N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine
N1,N8-Bis(glutathionyl)spermidine
N1,N8-Bis-(gamma-L-glutamyl-L-cysteinyl-glycyl)-spermidine
N1,N8-Bis-(glutathionyl)spermidine
N1,N8-bis(glutathion-S-yl)spermidine
N1,N8-bis(glutathionyl)spermidine
N1,N8-bis-(gamma-L-glutamyl-L-cysteinyl-glycyl)-spermidine
Reduced trypanothione
Trypanothione
trypanothione
hmdb:HMDB0060520
PHDOXVGRXXAYEB-VJANTYMQSA-N 		Trypanothione
(2S)-2-amino-4-{[(1R)-1-{[({3-[(4-{2-[(2R)-2-[(4S)-4-amino-4-carboxybutanamido]-3-sulfanylpropanamido]acetamido}butyl)amino]propyl}carbamoyl)methyl]carbamoyl}-2-sulfanylethyl]carbamoyl}butanoic acid
(2S,7R,26R,31S)-2,31-Diamino-7,26-bis(mercaptomethyl)-5,8,11,22,25,28-hexaoxo-6,9,12,16,21,24,27-heptaazadotriacontane-1,32-dioate
(2S,7R,26R,31S)-2,31-Diamino-7,26-bis(mercaptomethyl)-5,8,11,22,25,28-hexaoxo-6,9,12,16,21,24,27-heptaazadotriacontane-1,32-dioic acid
BIS(GAMMA-glutamyl-cysteinyl-glycinyl)spermidine
BIS(g-glutamyl-cysteinyl-glycinyl)spermidine
BIS(gamma-glutamyl-cysteinyl-glycinyl)spermidine
N1,N8-Bis(g-L-glutamyl-L-cysteinyl-glycyl)spermidine
N1,N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine
N1,N8-Bis(glutathionyl)spermidine
N1,N8-Bis-(g-L-glutamyl-L-cysteinyl-glycyl)-spermidine
N1,N8-Bis-(gamma-L-glutamyl-L-cysteinyl-glycyl)-spermidine
N1,N8-Bis-(glutathionyl)spermidine
Reduced trypanothione
TSH
Trypanothion
trypanothione

kegg.compound:C02090
keggC:C02090
PHDOXVGRXXAYEB-VJANTYMQSA-N 		Trypanothione
N1,N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine
N1,N8-Bis(glutathionyl)spermidine
Reduced trypanothione

CHEBI:17842
chebi:17842
PHDOXVGRXXAYEB-VJANTYMQSA-N 		trypanothione
(2S,7R,26R,31S)-2,31-diamino-5,8,11,22,25,28-hexaoxo-7,26-bis(sulfanylmethyl)-6,9,12,16,21,24,27-heptaazadotriacontane-1,32-dioic acid
(2S,7R,26R,31S)-2,31-diamino-7,26-bis(mercaptomethyl)-5,8,11,22,25,28-hexaoxo-6,9,12,16,21,24,27-heptaazadotriacontane-1,32-dioic acid
BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE
N1,N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine
N1,N8-Bis(glutathionyl)spermidine
N1,N8-Bis-(gamma-L-glutamyl-L-cysteinyl-glycyl)-spermidine
N1,N8-Bis-(glutathionyl)spermidine
Reduced trypanothione
TSH
Trypanothion
Trypanothione

metacyc.compound:TRYPANOTHIONE
metacycM:TRYPANOTHIONE
PHDOXVGRXXAYEB-VJANTYMQSA-O 		trypanothione
N1,N8-bis(glutathion-S-yl)spermidine
N1,N8-bis-(gamma-L-glutamyl-L-cysteinyl-glycyl)-spermidine
TSH

hmdb:HMDB60520
chebi:12620
chebi:12621
chebi:15034
chebi:15272
chebi:26528
chebi:27160
chebi:42644
chebi:9764
keggC:M_C02090
seedM:M_cpd01418
vmhM:M_bisgsprmdn 		secondary/obsolete/fantasy identifier