Search MNXref
 Feedback

trypanothione disulfide

MNXM2292 is deprecated and here replaced by MNXM1102251
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM1102251 Image of MNXM1102251
referencechebi:58661
formulaC27H48N9O10S2
global charge1
mol weight722.868
InChIKeyLZMSXDHGHZKXJD-VJANTYMQSA-O
InChIInChI=1S/C27H47N9O10S2/c28-16(26(43)44)4-6-20(37)35-18-14-47-48-15-19(36-21(38)7-5-17(29)27(45)46)25(42)34-13-23(40)32-11-3-9-30-8-1-2-10-31-22(39)12-33-24(18)41/h16-19,30H,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]1CSSC[C@H](NC(=O)CC[C@H]([NH3+])C(=O)[O-])C(=O)NCC(=O)NCCC[NH2+]CCCCNC(=O)CNC1=O)C(=O)[O-]
MNX internals
InChI (mnx)InChI=1/C27H47N9O10S2/c28-16(26(43)44)4-6-20(37)35-18-14-47-48-15-19(36-21(38)7-5-17(29)27(45)46)25(42)34-13-23(40)32-11-3-9-30-8-1-2-10-31-22(39)12-33-24(18)41/h16-19,30H,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 MNXM1102251
SMILES (mnx)[CH2:1]1[CH2:2][CH2:10][N:31]=[C:22]([OH:39])[CH2:12][N:33]=[C:24]([OH:41])[C@@H:18]([N:35]=[C:20]([CH2:6][CH2:4][C@@H:16]([C:26](=[O:43])[OH:44])[NH2:28])[OH:37])[CH2:14][S:47][S:48][CH2:15][C@H:19]([N:36]=[C:21]([CH2:7][CH2:5][C@@H:17]([C:27](=[O:45])[OH:46])[NH2:29])[OH:38])[C:25]([OH:42])=[N:34][CH2:13][C:23]([OH:40])=[N:32][CH2:11][CH2:3][CH2:9][NH:30][CH2:8]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)7
in models (compartimentalized) 1
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:58661
chebi:58661
LZMSXDHGHZKXJD-VJANTYMQSA-O 		trypanothione disulfide
(2S,2'S)-5,5'-{[(4R,23R)-5,8,19,22-tetraoxo-1,2-dithia-6,9,18,21-tetraaza-13-azoniacyclotetracosane-4,23-diyl]diimino}bis(2-azaniumyl-5-oxopentanoate)
trypanothione disulfide cation
trypanothione disulfide(1+)

sabiork.compound:6473
sabiorkM:6473
LZMSXDHGHZKXJD-VJANTYMQSA-N 		Oxidized trypanothione
TSST
Trypanothione disulfide

seed.compound:cpd02026
seedM:cpd02026
LZMSXDHGHZKXJD-VJANTYMQSA-O 		TSST
Oxidized trypanothione
Trypanothione disulfide
oxidized trypanothione
trypanothione disulfide

vmhM:tptnds
vmhmetabolite:tptnds
LZMSXDHGHZKXJD-VJANTYMQSA-N 		Trypanothione disulfide
hmdb:HMDB0060521
LZMSXDHGHZKXJD-VJANTYMQSA-N 		Trypanothione disulfide
(2S)-2-amino-4-{[(4R,23R)-23-{[(4S)-4-amino-4-carboxy-1-hydroxybutylidene]amino}-5,8,19,22-tetrahydroxy-1,2-dithia-6,9,13,18,21-pentaazacyclotetracosa-5,8,18,21-tetraen-4-yl]-C-hydroxycarbonimidoyl}butanoic acid
2-AMINO-4-[4-(4-amino-4-carboxy-butyrylamino)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaaza-cyclotetracos-23-ylcarbamoyl]-butyrIC ACID
2-AMINO-4-[4-(4-amino-4-carboxy-butyrylamino)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaaza-cyclotetracos-23-ylcarbamoyl]-butyrate
Dethiotrypanothione
N(1),N(8)-Bis(gamma-glu-hemi-cys-gly)sperimidine
N(1),N(8)-Bis(gamma-glutamyl-hemicystinyl-glycyl)spermidine
Oxidized trypanothione
TSST
Trypanothiondisulfid
Trypanothiondisulphid
Trypanothione
Trypanothione disulphide
trypanothione

kegg.compound:C03170
keggC:C03170
LZMSXDHGHZKXJD-VJANTYMQSA-N 		Trypanothione disulfide
Oxidized trypanothione

CHEBI:35490
chebi:35490
LZMSXDHGHZKXJD-VJANTYMQSA-N 		trypanothione disulfide
(2S,2'S)-5,5'-{[(4R,23R)-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentaazacyclotetracosane-4,23-diyl]diimino}bis(2-amino-5-oxopentanoic acid)
2-AMINO-4-[4-(4-AMINO-4-CARBOXY-BUTYRYLAMINO)-5,8,19,22-TETRAOXO-1,2-DITHIA-6,9,13,18,21-PENTAAZA-CYCLOTETRACOS-23-YLCARBAMOYL]-BUTYRIC ACID
Oxidized trypanothione
TSST
Trypanothiondisulfid
Trypanothione disulfide

metacyc.compound:TRYPANOTHIONE-DISULFIDE
metacycM:TRYPANOTHIONE-DISULFIDE
LZMSXDHGHZKXJD-WPOPZESYSA-O 		trypanothione disulfide
TSST
oxidized trypanothione

hmdb:HMDB60521
chebi:15273
chebi:46005
chebi:8800
keggC:M_C03170
seedM:M_cpd02026
vmhM:M_tptnds 		secondary/obsolete/fantasy identifier