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CHEBI:35490 - trypanothione disulfide

ChEBI IDCHEBI:35490
ChEBI Nametrypanothione disulfide
Stars
DefinitionAn organic disulfide resulting from the formal oxidative coupling of the thiol groups of N1,N8-bis(glutathionyl)-spermidine from the insect-parasitic trypanosomatid Crithidia fasciculata.
Secondary ChEBI IDsCHEBI:8800, CHEBI:15273, CHEBI:46005
Last Modified26 November 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC27H47N9O10S2
Net Charge0
Average Mass721.860
Monoisotopic Mass721.28873
SMILESN[C@@H](CCC(=O)N[C@H]1CSSC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)NCCCNCCCCNC(=O)CNC1=O)C(=O)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)/t16-,17-,18-,19-/m0/s1
InChIKeyLZMSXDHGHZKXJD-VJANTYMQSA-N
ChEBI Ontology
Outgoing Relation(s)
trypanothione disulfide (CHEBI:35490) has functional parent trypanothione (CHEBI:17842)
trypanothione disulfide (CHEBI:35490) is a organic disulfide (CHEBI:35489)
trypanothione disulfide (CHEBI:35490) is conjugate base of trypanothione disulfide(1+) (CHEBI:58661)
Incoming Relation(s)
trypanothione disulfide(1+) (CHEBI:58661) is conjugate acid of trypanothione disulfide (CHEBI:35490)
IUPAC Name 
(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)
Synonyms  Source
Trypanothione disulfideKEGG COMPOUND
TSSTKEGG COMPOUND
Oxidized trypanothioneKEGG COMPOUND
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 ACIDPDBeChem
TrypanothiondisulfidChEBI
Oxidized trypanothioneKEGG COMPOUND
Manual XrefsDatabases
C03170KEGG COMPOUND
TS2PDBeChem
Registry NumbersSources
Beilstein:3645155Beilstein
CAS:96304-42-6ChemIDplus
CAS:96304-42-6KEGG COMPOUND