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CHEBI:31240 - Aspoxicillin

ChEBI IDCHEBI:31240
ChEBI NameAspoxicillin
Stars
Last Modified22 February 2017
DownloadsMolfile
FormulaC21H27N5O7S
Net Charge0
Average Mass493.542
Monoisotopic Mass493.16312
SMILES[H][C@]12SC(C)(C)[C@H](C(=O)O)N1C(=O)[C@H]2NC(=O)[C@H](NC(=O)[C@H](N)CC(=O)NC)c1ccc(O)cc1
InChIInChI=1S/C21H27N5O7S/c1-21(2)15(20(32)33)26-18(31)14(19(26)34-21)25-17(30)13(9-4-6-10(27)7-5-9)24-16(29)11(22)8-12(28)23-3/h4-7,11,13-15,19,27H,8,22H2,1-3H3,(H,23,28)(H,24,29)(H,25,30)(H,32,33)/t11-,13-,14-,15+,19-/m1/s1
InChIKeyBHELIUBJHYAEDK-OAIUPTLZSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Aspoxicillin (CHEBI:31240) is a peptide (CHEBI:16670)
Synonym  Source
AspoxicillinKEGG COMPOUND
Manual XrefsDatabases
C13269KEGG COMPOUND
D07469KEGG DRUG
248DrugCentral
Registry NumbersSources
CAS:63358-49-6KEGG COMPOUND