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CHEBI:209595 - Mechercharmycin A

ChEBI IDCHEBI:209595
ChEBI NameMechercharmycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC35H32N8O7S
Net Charge0
Average Mass708.757
Monoisotopic Mass708.21147
SMILESC=C1NC(=O)[C@H](C(C)C)NC(=O)[C@@H]([C@@H](C)CC)NC(=O)c2nc(oc2-c2ccccc2)-c2coc(n2)-c2csc(n2)-c2coc(n2)-c2coc1n2
InChIInChI=1S/C35H32N8O7S/c1-6-17(4)25-29(45)41-24(16(2)3)28(44)36-18(5)31-37-20(12-47-31)32-39-22(14-49-32)35-40-23(15-51-35)33-38-21(13-48-33)34-43-26(30(46)42-25)27(50-34)19-10-8-7-9-11-19/h7-17,24-25H,5-6H2,1-4H3,(H,36,44)(H,41,45)(H,42,46)/t17-,24-,25+/m0/s1
InChIKeyYIJVJFCLUNYXQX-WGXRPPGPSA-N
Species of MetaboliteComponentSourceComments
Thermoactinomyces (ncbitaxon:2023) - DOI (10.1038/ja.2005.36)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
Mechercharmycin A (CHEBI:209595) is a cyclic peptide (CHEBI:23449)
IUPAC Name 
(20R,23S)-20-[(2S)-butan-2-yl]-26-methylidene-16-phenyl-23-propan-2-yl-3,11,15,28-tetraoxa-7-thia-19,22,25,30,31,32,33,34-octazahexacyclo[25.2.1.12,5.16,9.110,13.114,17]tetratriaconta-1(29),2(34),4,6(33),8,10(32),12,14(31),16,27(30)-decaene-18,21,24-trione
Manual XrefsDatabases
9540986ChemSpider