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CHEBI:172450 - (2R,2'S)-Isobuteine

ChEBI IDCHEBI:172450
ChEBI Name(2R,2'S)-Isobuteine
Stars
Last Modified18 June 2021
SubmitterMetaboLights
DownloadsMolfile
FormulaC7H13NO4S
Net Charge0
Average Mass207.251
Monoisotopic Mass207.05653
SMILESCC(CSCC(N)C(=O)O)C(=O)O
InChIInChI=1S/C7H13NO4S/c1-4(6(9)10)2-13-3-5(8)7(11)12/h4-5H,2-3,8H2,1H3,(H,9,10)(H,11,12)
InChIKeyQSPWUNSFUXUUDG-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) blood plasma (BTO:0000131) MetaboLights (MTBLS2633)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(2R,2'S)-Isobuteine (CHEBI:172450) is a cysteine derivative (CHEBI:23509)
(2R,2'S)-Isobuteine (CHEBI:172450) is a dicarboxylic acid (CHEBI:35692)
(2R,2'S)-Isobuteine (CHEBI:172450) is a organic sulfide (CHEBI:16385)
IUPAC Name 
3-(2-amino-2-carboxyethyl)sulanyl-2-methylpropanoic acid
Manual XrefsDatabases
HMDB0030411HMDB
13664198ChemSpider