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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > quaternary nitrogen compound > ammonium betaine > amino-acid betaine > ergothioneine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > dipolar compound > zwitterion > onium betaine > ammonium betaine > amino-acid betaine > ergothioneine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > dipolar compound > zwitterion > onium betaine > ammonium betaine > amino-acid betaine > ergothioneine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > amino-acid betaine > ergothioneine
... > organooxygen compound > carbonyl compound > carboxylic acid > amino acid > sulfur-containing amino acid > ergothioneine
... > organooxygen compound > carbon oxoacid > carboxylic acid > amino acid > sulfur-containing amino acid > ergothioneine
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > amino acid > sulfur-containing amino acid > ergothioneine
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > amino acid > sulfur-containing amino acid > ergothioneine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > amino acid > sulfur-containing amino acid > ergothioneine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > amino acid > sulfur-containing amino acid > ergothioneine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > chalcogen molecular entity > sulfur molecular entity > organosulfur compound > sulfur-containing carboxylic acid > sulfur-containing amino acid > ergothioneine
... > organooxygen compound > carbonyl compound > carboxylic acid > sulfur-containing carboxylic acid > sulfur-containing amino acid > ergothioneine
... > organooxygen compound > carbon oxoacid > carboxylic acid > sulfur-containing carboxylic acid > sulfur-containing amino acid > ergothioneine
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > sulfur-containing carboxylic acid > sulfur-containing amino acid > ergothioneine
... > chemical entity > molecular entity > main group molecular entity > s-block molecular entity > hydrogen molecular entity > hydroxides > oxoacid > carbon oxoacid > carboxylic acid > sulfur-containing carboxylic acid > sulfur-containing amino acid > ergothioneine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > histidine derivative > l-histidine derivative > ergothioneine
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > amino-acid derivative > proteinogenic amino acid derivative > l-histidine derivative > ergothioneine

Preferred term

ergothioneine  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C9H15N3O2S

has_role

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

is_conjugate_base_of

is_tautomer_of

mass

  • 229.29900

monoisotopicmass

  • 229.08850

smiles

  • C[N+](C)(C)[C@@H](Cc1c[nH]c(S)n1)C([O-])=O

subset

  • 3_STAR

synonym EXACT

  • (2S)-3-(2-mercapto-1H-imidazol-5-yl)-2-(trimethylazaniumyl)propanoate

synonym RELATED

  • 2-mercaptohistidine trimethylbetaine
  • (2S)-3-(2-mercapto-1H-imidazol-5-yl)-2-(trimethylammonio)propanoate
  • 3-(2-sulfanylidene-1,3-dihydroimidazol-4-yl)-2-trimethylammonio-propanoate
  • (alphaS)-alpha-carboxy-2,3-dihydro-N,N,N-trimethyl-2-thioxo-1H-imidazole-4-ethanaminium inner salt
  • ergothionine
  • erythrothioneine
  • L-ergothioneine
  • L-thioneine
  • (S)-(1-carboxy-2-(2-mercaptoimidazol-4-yl)ethyl)trimethylammonium hydroxide
  • sympectothion
  • thiolhistidine-betaine
  • thiolhistidinebetaine

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:4828

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