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CHEBI:214020 - Bottromycin B2

ChEBI IDCHEBI:214020
ChEBI NameBottromycin B2
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC41H60N8O7S
Net Charge0
Average Mass809.047
Monoisotopic Mass808.43057
SMILESCOC(=O)C[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC1=NCC(=O)N2CCC[C@H]2C(=O)N[C@@H](C(C)C)C(=O)N[C@H]1C(C)(C)C)C(C)(C)C)[C@@H](C)c1ccccc1)c1nccs1
InChIInChI=1S/C41H60N8O7S/c1-23(2)30-36(53)48-32(40(4,5)6)34(43-22-28(50)49-19-14-17-27(49)35(52)45-30)47-33(41(7,8)9)38(55)46-31(24(3)25-15-12-11-13-16-25)37(54)44-26(21-29(51)56-10)39-42-18-20-57-39/h11-13,15-16,18,20,23-24,26-27,30-33H,14,17,19,21-22H2,1-10H3,(H,43,47)(H,44,54)(H,45,52)(H,46,55)(H,48,53)/t24-,26+,27-,30-,31-,32+,33+/m0/s1
InChIKeyUVHKHTJWCYXSLC-PPZIYWBKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces bottropensis (ncbitaxon:42235) - PubMed (12523827)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Bottromycin B2 (CHEBI:214020) is a peptide (CHEBI:16670)
IUPAC Name 
methyl (3R)-3-[[(2S,3S)-2-[[(2S)-2-[[(6S,9S,12S)-6-tert-butyl-2,8,11-trioxo-9-propan-2-yl-1,4,7,10-tetrazabicyclo[10.3.0]pentadec-4-en-5-yl]amino]-3,3-dimethylbutanoyl]amino]-3-phenylbutanoyl]amino]-3-(1,3-thiazol-2-yl)propanoate
Manual XrefsDatabases
58826976ChemSpider