CHEBI:17842 - trypanothione

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name trypanothione
ChEBI ID CHEBI:17842
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:12620, CHEBI:42644, CHEBI:9764, CHEBI:18190, CHEBI:15272, CHEBI:15034, CHEBI:27160, CHEBI:26528, CHEBI:12621
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Formula C27H49N9O10S2
Net Charge 0
Average Mass 723.86462
Monoisotopic Mass 723.30438
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)/t16-,17-,18-,19-/m0/s1
InChIKey PHDOXVGRXXAYEB-VJANTYMQSA-N
SMILES N[C@@H](CCC(=O)N[C@@H](CS)C(=O)NCC(=O)NCCCCNCCCNC(=O)CNC(=O)[C@H](CS)NC(=O)CC[C@H](N)C(O)=O)C(O)=O
ChEBI Ontology
Outgoing trypanothione (CHEBI:17842) has functional parent spermidine (CHEBI:16610)
trypanothione (CHEBI:17842) is a glutathione derivative (CHEBI:24337)
trypanothione (CHEBI:17842) is conjugate base of trypanothione(1+) (CHEBI:58290)
Incoming trypanothione disulfide (CHEBI:35490) has functional parent trypanothione (CHEBI:17842)
trypanothione(1+) (CHEBI:58290) is conjugate acid of trypanothione (CHEBI:17842)
IUPAC Name
(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
Synonyms Sources
(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 IUPAC
BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE PDBeChem
N1,N8-Bis(gamma-L-glutamyl-L-cysteinyl-glycyl)spermidine KEGG COMPOUND
N1,N8-Bis(glutathionyl)spermidine KEGG COMPOUND
N1,N8-Bis-(gamma-L-glutamyl-L-cysteinyl-glycyl)-spermidine KEGG COMPOUND
N1,N8-Bis-(glutathionyl)spermidine KEGG COMPOUND
Reduced trypanothione KEGG COMPOUND
Trypanothion ChEBI
Trypanothione KEGG COMPOUND
TSH KEGG COMPOUND
Manual Xrefs Databases
C02090 KEGG COMPOUND
DB03470 DrugBank
GCG PDBeChem
View more database links
Registry Numbers Types Sources
6559471 Beilstein Registry Number Beilstein
96304-42-6 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014