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CHEBI:58290 - trypanothione(1+)

ChEBI IDCHEBI:58290
ChEBI Nametrypanothione(1+)
Stars
DefinitionAn organic cation that is the conjugate acid of trypanothione, arising from deprotonation of the carboxy groups and protonation of the primary and secondary amino groups; major species at pH 7.3.
Last Modified29 April 2014
DownloadsMolfile
FormulaC27H50N9O10S2
Net Charge+1
Average Mass724.884
Monoisotopic Mass724.31166
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-]
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
InChIKeyPHDOXVGRXXAYEB-VJANTYMQSA-O
ChEBI Ontology
Outgoing Relation(s)
trypanothione(1+) (CHEBI:58290) is a organic cation (CHEBI:25697)
trypanothione(1+) (CHEBI:58290) is conjugate acid of trypanothione (CHEBI:17842)
Incoming Relation(s)
trypanothione (CHEBI:17842) is conjugate base of trypanothione(1+) (CHEBI:58290)
IUPAC Name 
(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
Synonym  Source
trypanothione cationChEBI
UniProt Name  Source
trypanothioneUniProt