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CHEBI:80726 - AM-toxin I

ChEBI IDCHEBI:80726
ChEBI NameAM-toxin I
Stars
DownloadsMolfile
FormulaC23H31N3O6
Net Charge0
Average Mass445.516
Monoisotopic Mass445.22129
SMILESC=C1NC(=O)[C@H](CCCc2ccc(OC)cc2)NC(=O)[C@H](C(C)C)OC(=O)[C@H](C)NC1=O
InChIInChI=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
InChIKeySYONRRYXABHFOE-SNRMKQJTSA-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)
AM-toxin I (CHEBI:80726) is a cyclodepsipeptide (CHEBI:35213)
Manual XrefsDatabases
C16786KEGG COMPOUND
Registry NumbersSources
CAS:53193-10-5KEGG COMPOUND