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CHEBI:66256 - Topostatin

ChEBI IDCHEBI:66256
ChEBI NameTopostatin
Stars
DefinitionA natural product found in Thermomonospora alba.
Last Modified8 October 2014
DownloadsMolfile
FormulaC36H60N4O10S
Net Charge0
Average Mass740.961
Monoisotopic Mass740.40302
SMILESC=C1NCC(C)C(CCC(C)C(=O)/C=C/C(C)=C/CC(C)CCCCCCC)OC(=O)[C@H](CC(OS(=O)(=O)O)C(N)=O)NC(=O)C(C)CNC1=O
InChIInChI=1S/C36H60N4O10S/c1-8-9-10-11-12-13-23(2)14-15-24(3)16-18-30(41)25(4)17-19-31-26(5)21-38-28(7)35(44)39-22-27(6)34(43)40-29(36(45)49-31)20-32(33(37)42)50-51(46,47)48/h15-16,18,23,25-27,29,31-32,38H,7-14,17,19-22H2,1-6H3,(H2,37,42)(H,39,44)(H,40,43)(H,46,47,48)/b18-16+,24-15+/t23?,25?,26?,27?,29-,31?,32?/m0/s1
InChIKeyWIQUYXCFQUOZPY-XHQYRCKTSA-N
Species of MetaboliteComponentSourceComments
Thermomonospora alba (ncbitaxon:53522) - PubMed (9918391) Strain: 1520
ChEBI Ontology
Outgoing Relation(s)
Topostatin (CHEBI:66256) is a lactam (CHEBI:24995)
Citations