input word = C00053098

Metabolite InformationStructural formula
Name alpha-Carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-1H-imidazole-4-ethanaminium hydroxide inner salt
Ergothioneine
Formula C9H15N3O2S
Mw 229.08849748
CAS RN 497-30-3
C_ID C00053098
InChIKey SSISHJJTAXXQAX-ZETCQYMHSA-N
InChICode InChI=1S/C9H15N3O2S/c1-12(2,3)7(8(13)14)4-6-5-10-9(15)11-6/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/t7-/m0/s1
SMILES C[N+](C)(C)[C@@H](Cc1c[nH]c(=S)[nH]1)C(=O)[O-]
Start Substs in Alk. Biosynthesis (Prediction)
Organism
Kingdom Family Species Reference
FungiPhysalacriaceaeFlammulina velutipes Ref.
FungiSordariaceaeNeurospora crassa Ref.
FungiTrichocomaceaeAspergillus fumigatus Ref.
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