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CHEBI:55475 - 6-aminopenicilloyl-butylamine

ChEBI IDCHEBI:55475
ChEBI Name6-aminopenicilloyl-butylamine
Stars
DefinitionAn amide formed between 6-aminopenicillin and butylamine.
Last Modified2 February 2010
Submitterzjosephs
DownloadsMolfile
FormulaC12H23N3O3S
Net Charge0
Average Mass289.401
Monoisotopic Mass289.14601
SMILES[H][C@@]1([C@H](N)C(=O)NCCCC)N[C@@H](C(=O)O)C(C)(C)S1
InChIInChI=1S/C12H23N3O3S/c1-4-5-6-14-9(16)7(13)10-15-8(11(17)18)12(2,3)19-10/h7-8,10,15H,4-6,13H2,1-3H3,(H,14,16)(H,17,18)/t7-,8+,10-/m1/s1
InChIKeyFJEOKGAUBIDOBJ-KHQFGBGNSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
6-aminopenicilloyl-butylamine (CHEBI:55475) has functional parent 6-aminopenicillanic acid (CHEBI:16705)
6-aminopenicilloyl-butylamine (CHEBI:55475) is a monocarboxylic acid amide (CHEBI:29347)
6-aminopenicilloyl-butylamine (CHEBI:55475) is a thiazolidinemonocarboxylic acid (CHEBI:48875)
IUPAC Name 
(2R,4S)-2-[(1R)-1-amino-2-(butylamino)-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid
Synonyms  Source
6-aminopenicilloyl butylamineChEBI
6APA-BAChEBI
6APA-butylamineChEBI
Citations