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CHEBI:222236 - Bonnevillamide E

ChEBI IDCHEBI:222236
ChEBI NameBonnevillamide E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC44H62Cl2N6O13
Net Charge0
Average Mass953.915
Monoisotopic Mass952.37519
SMILESC/C=C(\NC(=O)/C(=C/c1cc(Cl)c(O)c(Cl)c1)OC)C(=O)N[C@@H](CC(C)C)C(=O)N1[C@H](C)[C@@H](OC(C)=O)C[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)N(O)[C@H](C(=O)N1[C@@H](C)C[C@H]1C(=O)O)C(C)C
InChIInChI=1S/C44H62Cl2N6O13/c1-12-29(47-40(57)35(64-11)18-26-16-27(45)37(54)28(46)17-26)38(55)48-30(13-20(2)3)41(58)51-24(9)34(65-25(10)53)19-32(51)39(56)49-31(14-21(4)5)42(59)52(63)36(22(6)7)43(60)50-23(8)15-33(50)44(61)62/h12,16-18,20-24,30-34,36,54,63H,13-15,19H2,1-11H3,(H,47,57)(H,48,55)(H,49,56)(H,61,62)/b29-12-,35-18-/t23-,24+,30-,31-,32-,33-,34-,36-/m0/s1
InChIKeyKNXJPIWWQWMTSD-IUATYZGISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (33979513)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Bonnevillamide E (CHEBI:222236) is a oligopeptide (CHEBI:25676)