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CHEBI:176510 - 2-amino-4-(S-butylsulfonimidoyl)butanoic acid

ChEBI IDCHEBI:176510
ChEBI Name2-amino-4-(S-butylsulfonimidoyl)butanoic acid
Stars
ASCII Name2-amino-4-(S-butylsulfonimidoyl)butanoic acid
DefinitionA non-proteinogenic α-amino acid that is homocysteine in which the thiol group carries an oxo, imino and butyl groups.
Last Modified14 June 2021
SubmitterAdnan
DownloadsMolfile
FormulaC8H18N2O3S
Net Charge0
Average Mass222.310
Monoisotopic Mass222.10381
SMILESCCCCS(=N)(=O)CCC(N)C(=O)O
InChIInChI=1S/C8H18N2O3S/c1-2-3-5-14(10,13)6-4-7(9)8(11)12/h7,10H,2-6,9H2,1H3,(H,11,12)
InChIKeyKJQFBVYMGADDTQ-UHFFFAOYSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
2-amino-4-(S-butylsulfonimidoyl)butanoic acid (CHEBI:176510) is a homocysteines (CHEBI:24610)
2-amino-4-(S-butylsulfonimidoyl)butanoic acid (CHEBI:176510) is a non-proteinogenic α-amino acid (CHEBI:83925)
2-amino-4-(S-butylsulfonimidoyl)butanoic acid (CHEBI:176510) is a sulfoximide (CHEBI:38084)
Incoming Relation(s)
D-buthionine-(S,R)-sulfoximine (CHEBI:176509) is a 2-amino-4-(S-butylsulfonimidoyl)butanoic acid (CHEBI:176510)
L-buthionine-(S,R)-sulfoximine (CHEBI:94288) is a 2-amino-4-(S-butylsulfonimidoyl)butanoic acid (CHEBI:176510)
IUPAC Name 
2-amino-4-(S-butylsulfonimidoyl)butanoic acid
Synonym  Source
2-amino-4-(S-butylsulfonimidoyl)butyric acidChEBI