CHEBI:80726 - AM-toxin I

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ChEBI Name AM-toxin I
ChEBI ID CHEBI:80726
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C23H31N3O6
Net Charge 0
Average Mass 445.50870
Monoisotopic Mass 445.221
InChI InChI=1S/C23H31N3O6/c1-13(2)19-22(29)26-18(8-6-7-16-9-11-17(31-5)12-10-16)21(28)24-14(3)20(27)25-15(4)23(30)32-19/h9-13,15,18-19H,3,6-8H2,1-2,4-5H3,(H,24,28)(H,25,27)(H,26,29)/t15-,18-,19-/m0/s1
InChIKey SYONRRYXABHFOE-SNRMKQJTSA-N
SMILES COc1ccc(CCC[C@@H]2NC(=O)[C@@H](OC(=O)[C@H](C)NC(=O)C(=C)NC2=O)C(C)C)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 AM-toxin I (CHEBI:80726) is a cyclodepsipeptide (CHEBI:35213)
Manual Xref Database
C16786 KEGG COMPOUND
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Registry Number Type Source
53193-10-5 CAS Registry Number KEGG COMPOUND