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CHEBI:32287 - Valacillin (TN)

ChEBI IDCHEBI:32287
ChEBI NameValacillin (TN)
Stars
Last Modified6 March 2017
DownloadsMolfile
FormulaC21H23N3O7S.HCl
Net Charge0
Average Mass497.957
Monoisotopic Mass497.10235
SMILESCl.[H][C@]12SC(C)(C)[C@H](C(=O)OCc3oc(=O)oc3C)N1C(=O)[C@H]2NC(=O)[C@H](N)c1ccccc1
InChIInChI=1S/C21H23N3O7S.ClH/c1-10-12(31-20(28)30-10)9-29-19(27)15-21(2,3)32-18-14(17(26)24(15)18)23-16(25)13(22)11-7-5-4-6-8-11;/h4-8,13-15,18H,9,22H2,1-3H3,(H,23,25);1H/t13-,14-,15+,18-;/m1./s1
InChIKeyFXXSETTYJSGMCR-GLCLSGQWSA-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)
Valacillin (TN) (CHEBI:32287) is a peptide (CHEBI:16670)
Synonyms  Source
Valacillin (TN)KEGG COMPOUND
Lenampicillin hydrochlorideKEGG COMPOUND
Kbt 1585KEGG COMPOUND
Manual XrefsDatabases
D01696KEGG DRUG
Registry NumbersSources
CAS:80734-02-7KEGG COMPOUND