CHEBI:58290 - trypanothione(1+)

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ChEBI Name trypanothione(1+)
ChEBI ID CHEBI:58290
Definition An 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C27H50N9O10S2
Net Charge +1
Average Mass 724.87000
Monoisotopic Mass 724.31166
InChI InChI=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
InChIKey PHDOXVGRXXAYEB-VJANTYMQSA-O
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
ChEBI Ontology
Outgoing trypanothione(1+) (CHEBI:58290) is a organic cation (CHEBI:25697)
trypanothione(1+) (CHEBI:58290) is conjugate acid of trypanothione (CHEBI:17842)
Incoming 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
Synonyms Sources
trypanothione UniProt
trypanothione cation ChEBI
Last Modified
29 April 2014