Terminology Service for NFDI4Health
ergothioneine thione form
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http://purl.obolibrary.org/obo/CHEBI_82707
A L-histidine derivative that is N(alpha),N(alpha),N(alpha)-trimethyl-L-histidine in which the hydrogen at position 2 on the imdazole ring is replaced by a thioxo group.
Term info
Label
ergothioneine thione form
Synonyms
- (2S)-3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylazaniumyl)propanoate
Subsets
3_STAR
IUPAC NAME
(2S)-3-(2-thioxo-2,3-dihydro-1H-imidazol-4-yl)-2-(trimethylazaniumyl)propanoate
[
IUPAC
]
charge
0
formula
C9H15N3O2S
has obo namespace
chebi_ontology
has related synonym
ergothioneine thione, ergothioneine
id
CHEBI:82707
inchi
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
inchikey
SSISHJJTAXXQAX-ZETCQYMHSA-N
mass
229.29900
monoisotopicmass
229.08850
smiles
C[N+](C)(C)[C@@H](Cc1c[nH]c(=S)[nH]1)C([O-])=O
Term relations
Subclass of:
- L-histidine derivative
- amino-acid betaine
- 1,3-dihydroimidazole-2-thiones
- has role some xenobiotic metabolite
- has role some plant metabolite
- is tautomer of some ergothioneine
- has role some fungal metabolite
Related from: