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CHEBI:221178 - Berninamycin K

ChEBI IDCHEBI:221178
ChEBI NameBerninamycin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H53N15O16S
Net Charge0
Average Mass1164.141
Monoisotopic Mass1163.35154
SMILESC=C(NC(=O)C(=C)NC(=O)c1ccc(-c2nc(C(=O)N[C@H](C(N)=O)[C@@H](C)O)cs2)c(-c2coc(C(=C)NC(=O)C(=C)NC(=O)c3nc(C(=C)NC(=O)[C@@H](NC(=O)C(=C)NC(=O)c4nc(C(=O)CC)oc4C)C(C)(C)O)oc3C)n2)n1)C(N)=O
InChIInChI=1S/C51H53N15O16S/c1-13-31(68)49-65-34(26(10)82-49)45(77)57-21(5)41(73)66-36(51(11,12)79)46(78)59-23(7)48-64-33(25(9)81-48)44(76)56-20(4)40(72)58-22(6)47-61-29(16-80-47)35-27(50-62-30(17-83-50)43(75)63-32(24(8)67)38(53)70)14-15-28(60-35)42(74)55-19(3)39(71)54-18(2)37(52)69/h14-17,24,32,36,67,79H,2-7,13H2,1,8-12H3,(H2,52,69)(H2,53,70)(H,54,71)(H,55,74)(H,56,76)(H,57,77)(H,58,72)(H,59,78)(H,63,75)(H,66,73)/t24-,32+,36-/m1/s1
InChIKeyACSDUXDWMODDMW-QWICZQNUSA-N
Species of MetaboliteComponentSourceComments
Streptomyces albus J1074 (ncbitaxon:457425) - PubMed (34617948)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Berninamycin K (CHEBI:221178) is a oligopeptide (CHEBI:25676)