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CHEBI:205305 - Mycotrienin I

ChEBI IDCHEBI:205305
ChEBI NameMycotrienin I
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H48N2O8
Net Charge0
Average Mass636.786
Monoisotopic Mass636.34107
SMILESCOC1C=C/C=C/C=C/CC(OC(=O)C(C)NC(=O)C2CCCCC2)C(C)C(O)/C(C)=C\CCC2=CC(=O)C=C(NC(=O)C1)C2=O
InChIInChI=1S/C36H48N2O8/c1-23-14-13-17-27-20-28(39)21-30(34(27)42)38-32(40)22-29(45-4)18-11-6-5-7-12-19-31(24(2)33(23)41)46-36(44)25(3)37-35(43)26-15-9-8-10-16-26/h5-7,11-12,14,18,20-21,24-26,29,31,33,41H,8-10,13,15-17,19,22H2,1-4H3,(H,37,43)(H,38,40)/b6-5+,12-7+,18-11?,23-14-
InChIKeyWWUVMHRJRCRFSL-BKOAXCBTSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (7161185)
ChEBI Ontology
Outgoing Relation(s)
Mycotrienin I (CHEBI:205305) is a azamacrocycle (CHEBI:52898)
Mycotrienin I (CHEBI:205305) is a keratan 6'-sulfate (CHEBI:18331)
IUPAC Name 
[(8E,10E,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] 2-(cyclohexanecarbonylamino)propanoate