trypanothione

Chemical Formula:

C₂₇H₅₀N₉O₁₀S₂

Molecular Weight:

724.866 Daltons

Monoisotopic Mass:

726.3278553170001 Daltons

SMILES:

C([N+]CCCNC(=O)CNC(=O)C(CS)NC(=O)CCC([N+])C([O-])=O)CCCNC(=O)CNC(=O)C(CS)NC(=O)CCC([N+])C([O-])=O

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

Synonyms

N¹,N⁸-bis-(γ-L-glutamyl-L-cysteinyl-glycyl)-spermidine
N¹,N⁸-bis(glutathion-S-yl)spermidine

Databases

MetaCyc: TRYPANOTHIONE

PubChem (CID): 49852324

HMDB: HMDB60520

ChEBI: 58290

DRUGBANK: DB03470

KEGG: C02090

Seed: cpd01418

MetaNetX: MNXM1596