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CHEBI:197640 - UCF-116-A

ChEBI IDCHEBI:197640
ChEBI NameUCF-116-A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H48N2O8
Net Charge0
Average Mass648.797
Monoisotopic Mass648.34107
SMILESCO[C@H]1C=C/C=C\C=C/C[C@H](OC(=O)C2(NC(=O)C3CCCCC3)CC2)[C@H](C)[C@@H](O)/C(C)=C\CCC2=CC(=O)C=C(NC(=O)C1)C2=O
InChIInChI=1S/C37H48N2O8/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/h4-6,10-11,13,17,21-22,25-26,29,31,33,42H,7-9,12,14-16,18-20,23H2,1-3H3,(H,38,41)(H,39,44)/b5-4-,11-6-,17-10?,24-13-/t25-,29-,31-,33-/m0/s1
InChIKeyXIINXLCERXPPLH-JLQLCKCDSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies (ncbitaxon:1931) - PubMed (10994815)
ChEBI Ontology
Outgoing Relation(s)
UCF-116-A (CHEBI:197640) is a azamacrocycle (CHEBI:52898)
UCF-116-A (CHEBI:197640) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(5R,8Z,10Z,13S,14R,15R,16Z)-15-hydroxy-5-methoxy-14,16-dimethyl-3,22,24-trioxo-2-azabicyclo[18.3.1]tetracosa-1(23),6,8,10,16,20-hexaen-13-yl] 1-(cyclohexanecarbonylamino)cyclopropane-1-carboxylate