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CHEBI:212781 - Bonnevillamide A

ChEBI IDCHEBI:212781
ChEBI NameBonnevillamide A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H66Cl2N6O14
Net Charge0
Average Mass985.957
Monoisotopic Mass984.40141
SMILESCOC(=O)[C@H]1C[C@@H](C)N1C(=O)[C@H](C(C)C)N(O)C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1C[C@H](OC(C)=O)[C@@H](C)N1C(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)C(O)=Cc1cc(Cl)c(OC)c(Cl)c1)[C@@H](C)O
InChIInChI=1S/C45H66Cl2N6O14/c1-20(2)13-30(49-41(59)36(25(9)54)50-40(58)34(56)18-27-16-28(46)38(65-11)29(47)17-27)42(60)52-24(8)35(67-26(10)55)19-32(52)39(57)48-31(14-21(3)4)43(61)53(64)37(22(5)6)44(62)51-23(7)15-33(51)45(63)66-12/h16-18,20-25,30-33,35-37,54,56,64H,13-15,19H2,1-12H3,(H,48,57)(H,49,59)(H,50,58)/t23-,24-,25-,30+,31+,32+,33-,35+,36+,37+/m1/s1
InChIKeyWCRMNPOFZYKXJQ-NKOJTHOISA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (28672784)
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 A (CHEBI:212781) is a peptide (CHEBI:16670)
IUPAC Name 
methyl (2R,4R)-1-[(2S)-2-[[(2S)-2-[[(2S,4S,5R)-4-acetyloxy-1-[(2S)-2-[[(2S,3R)-2-[[3-(3,5-dichloro-4-methoxyphenyl)-2-hydroxyprop-2-enoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]-5-methylpyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]-hydroxyamino]-3-methylbutanoyl]-4-methylazetidine-2-carboxylate
Manual XrefsDatabases
78440599ChemSpider