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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

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

ChEBI ID	CHEBI:181946

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C9H16N3O3S

Net Charge

Average Mass

246.300

Monoisotopic Mass

246.09069

InChI

InChI=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

InChIKey

ZLPHHLCGSBYNCO-ZETCQYMHSA-O

SMILES

S(O)C=1NC(C[C@H]([N+](C)(C)C)C(O)=O)=CN1

ChEBI Ontology
Outgoing	(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