trypanothione disulfide

Chemical Formula:

C₂₇H₄₈N₉O₁₀S₂

Molecular Weight:

722.85 Daltons

Monoisotopic Mass:

724.3122052528 Daltons

SMILES:

C1(CCCNC(CNC(C(NC(CCC(C([O-])=O)[N+])=O)CSSCC(C(NCC(NCCC[N+]1)=O)=O)NC(CCC(C([O-])=O)[N+])=O)=O)=O)

InChI:

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)/p+1/t16-,17-,18?,19-/m0/s1

InChIKey:

LZMSXDHGHZKXJD-WPOPZESYSA-O

Synonyms

oxidized trypanothione
TSST

Databases

MetaCyc: TRYPANOTHIONE-DISULFIDE

ChEBI: 35490

HMDB: HMDB60521

PubChem (CID): 25200963

KEGG: C03170

Seed: cpd02026

MetaNetX: MNXM2292