CHEBI:32287 - Valacillin (TN)

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ChEBI Name Valacillin (TN)
ChEBI ID CHEBI:32287
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formulae C21H24ClN3O7S
C21H24N3O7S.Cl
Net Charge 0
Average Mass 497.951
Monoisotopic Mass 497.10235
InChI InChI=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
InChIKey FXXSETTYJSGMCR-GLCLSGQWSA-N
SMILES [C@H]1(C(N2[C@@]1(SC([C@@H]2C(OCC3=C(OC(O3)=O)C)=O)(C)C)[H])=O)NC(=O)[C@@H](C4=CC=CC=C4)N.Cl
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
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ChEBI Ontology
Outgoing Valacillin (TN) (CHEBI:32287) is a peptide (CHEBI:16670)
Synonyms Sources
Kbt 1585 KEGG COMPOUND
Lenampicillin hydrochloride KEGG COMPOUND
Valacillin (TN) KEGG COMPOUND
Manual Xref Database
D01696 KEGG DRUG
View more database links
Registry Number Type Source
80734-02-7 CAS Registry Number KEGG COMPOUND
Last Modified
06 March 2017