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CHEBI:221173 - Berninamycin J

ChEBI IDCHEBI:221173
ChEBI NameBerninamycin J
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC51H53N15O15S
Net Charge0
Average Mass1148.142
Monoisotopic Mass1147.35663
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)oc3C)n2)n1)C(N)=O
InChIInChI=1S/C51H53N15O15S/c1-13-32(68)50-66-36(27(12)81-50)47(78)57-22(7)42(73)63-33(18(2)3)45(76)59-24(9)49-65-35(26(11)80-49)46(77)56-21(6)41(72)58-23(8)48-61-30(16-79-48)37-28(51-62-31(17-82-51)44(75)64-34(25(10)67)39(53)70)14-15-29(60-37)43(74)55-20(5)40(71)54-19(4)38(52)69/h14-18,25,33-34,67H,4-9,13H2,1-3,10-12H3,(H2,52,69)(H2,53,70)(H,54,71)(H,55,74)(H,56,77)(H,57,78)(H,58,72)(H,59,76)(H,63,73)(H,64,75)/t25-,33+,34+/m1/s1
InChIKeyGEHAXWAIADEMGU-OCVOMCNHSA-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 J (CHEBI:221173) is a oligopeptide (CHEBI:25676)