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Chemical structure of Trypanothione

GA23647

Trypanothione

Also known as (2S)-2-amino-5-[[(4R,23R)-4-[[(4S)-4-amino-4-carboxybutanoyl]amino]-5,8,19,22-tetraoxo-1,2-dithia-6,9,13,18,21-pentazacyclotetracos-23-yl]amino]-5-oxopentanoic acid

Trypanothione (TS2) was purified from the insect trypanosomatid Crithidia fasciculata and identified as a covalently linked adduct of glutathione and spermidine· TS2 is utilized as a substrate by trypanothione reductase, a unique enzyme found in trypanosomes and leishmanias (Km = 51 µM)

ChemicalCAS96304-42-6MW721.86FormulaC27H47N9O10S2
CAS number
96304-42-6
Molecular weight
721.86
Formula
C27H47N9O10S2
Solubility
1mg/mL in water
InChIKey
LZMSXDHGHZKXJD-VJANTYMQSA-N
Catalogue number
GA23647
Brand
GLPBIO
Computed properties PubChem CID 115098 · XLogP -9.2 · TPSA 364 Ų · H-bond donors 11
XLogP
-9.2
TPSA
364 Ų
H-bond donors
11
H-bond acceptors
15
Rotatable bonds
10
Heavy atoms
48

SMILES C1CCNC(=O)CNC(=O)[C@H](CSSC[C@@H](C(=O)NCC(=O)NCCCNC1)NC(=O)CC[C@@H](C(=O)O)N)NC(=O)CC[C@@H](C(=O)O)N

Computed descriptors from PubChem (CID 115098), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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