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CHEBI:201323 - Cytotrienin B

ChEBI IDCHEBI:201323
ChEBI NameCytotrienin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H50N2O8
Net Charge0
Average Mass650.813
Monoisotopic Mass650.35672
SMILESCOC1C=C/C=C/C=C/CC(OC(=O)C2(NC(=O)C3CCCCC3)CC2)C(C)C(O)/C(C)=C\CCc2cc(O)cc(c2O)NC(=O)C1
InChIInChI=1S/C37H50N2O8/c1-24-13-12-16-27-21-28(40)22-30(34(27)43)38-32(41)23-29(46-3)17-10-5-4-6-11-18-31(25(2)33(24)42)47-36(45)37(19-20-37)39-35(44)26-14-8-7-9-15-26/h4-6,10-11,13,17,21-22,25-26,29,31,33,40,42-43H,7-9,12,14-16,18-20,23H2,1-3H3,(H,38,41)(H,39,44)/b5-4+,11-6+,17-10?,24-13-
InChIKeyCIOCCJLAZWCCBX-FDMHITQUSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - DOI (10.1016/s0040-4039(97)00170-6)
ChEBI Ontology
Outgoing Relation(s)
Cytotrienin B (CHEBI:201323) is a azamacrocycle (CHEBI:52898)
Cytotrienin B (CHEBI:201323) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(8E,10E,16Z)-15,22,24-trihydroxy-5-methoxy-14,16-dimethyl-3-oxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20(24),21-heptaen-13-yl] 1-(cyclohexanecarbonylamino)cyclopropane-1-carboxylate