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

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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	(2R,2'S)-Isobuteine

ChEBI ID	CHEBI:172450

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C7H13NO4S

Net Charge

Average Mass

207.240

Monoisotopic Mass

207.05653

InChI

InChI=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)

InChIKey

QSPWUNSFUXUUDG-UHFFFAOYSA-N

SMILES

S(CC(C)C(O)=O)CC(N)C(O)=O

Metabolite of Species	Details
Homo sapiens (NCBI:txid9606)	Found in blood plasma (BTO:0000131). See: MetaboLights Study

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	(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

Last Modified

18 June 2021