MetaADEDB 2.0 @ LMMD
Ergothioneine
(SSISHJJTAXXQAX-ZETCQYMHSA-N)
Structure
SMILES
[O-]C(=O)[C@@H]([N+](C)(C)C)Cc1c[nH]c(=S)[nH]1
Molecular Formula:
C9H15N3O2S
Molecular Weight:
229.299
Log P:
-0.5605
Hydrogen Bond Acceptor:
3
Hydrogen Bond Donor:
2
TPSA:
103.8
CAS Number(s):
497-30-3; 58511-63-0
Synonym(s)
1.
Ergothioneine
2.
Thioneine
3.
2-Thiol-L-histidine-betaine
4.
2 Thiol L histidine betaine
External Link(s)
MeSHD004880
PubChem Compound5351619
57509571
ChEBI4828
82707
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Memory Disorders20932872CTD
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