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CHEBI:181946 - (2~{S})-3-(2-Oxidanylsulfanyl-1~{H}-imidazol-4-yl)-2-(trimethyl-$l^{4}-azanyl)propanoic acid

ChEBI IDCHEBI:181946
ChEBI Name(2~{S})-3-(2-Oxidanylsulfanyl-1~{H}-imidazol-4-yl)-2-(trimethyl-$l^{4}-azanyl)propanoic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC9H16N3O3S
Net Charge+1
Average Mass246.312
Monoisotopic Mass246.09069
SMILESC[N+](C)(C)[C@@H](Cc1cnc(SO)n1)C(=O)O
InChIInChI=1S/C9H15N3O3S/c1-12(2,3)7(8(13)14)4-6-5-10-9(11-6)16-15/h5,7H,4H2,1-3H3,(H2-,10,11,13,14,15)/p+1/t7-/m0/s1
InChIKeyZLPHHLCGSBYNCO-ZETCQYMHSA-O
ChEBI Ontology
Outgoing Relation(s)
(2~{S})-3-(2-Oxidanylsulfanyl-1~{H}-imidazol-4-yl)-2-(trimethyl-$l^{4}-azanyl)propanoic acid (CHEBI:181946) is a histidine derivative (CHEBI:24599)
IUPAC Name 
[(1S)-1-carboxy-2-(2-hydroxysulanyl-1H-imidazol-5-yl)ethyl]-trimethylazanium
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C21731KEGG COMPOUND