CHEBI:31240 - Aspoxicillin

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ChEBI Name Aspoxicillin
ChEBI ID CHEBI:31240
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C21H27N5O7S
Net Charge 0
Average Mass 493.535
Monoisotopic Mass 493.16312
InChI InChI=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
InChIKey BHELIUBJHYAEDK-OAIUPTLZSA-N
SMILES CNC(=O)C[C@@H](N)C(=O)N[C@@H](C(=O)N[C@H]1[C@H]2SC(C)(C)[C@@H](N2C1=O)C(O)=O)c1ccc(O)cc1
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 Aspoxicillin (CHEBI:31240) is a peptide (CHEBI:16670)
Synonym Source
Aspoxicillin KEGG COMPOUND
Manual Xrefs Databases
248 DrugCentral
C13269 KEGG COMPOUND
D07469 KEGG DRUG
View more database links
Registry Number Type Source
63358-49-6 CAS Registry Number KEGG COMPOUND
Last Modified
22 February 2017