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CHEBI:230164 - Demethoxyrapamycin

ChEBI IDCHEBI:230164
ChEBI NameDemethoxyrapamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC50H77NO12
Net Charge0
Average Mass884.161
Monoisotopic Mass883.54458
SMILESCOC1CC2CCC(C)C(O)(O2)C(=O)C(=O)N2CCCCC2C(=O)OC(C(C)CC2CCC(O)C(OC)C2)CC(=O)C(C)/C=C(/C)C(O)CC(=O)C(C)CC(C)/C=C/C=C\C=C\1C
InChIInChI=1S/C50H77NO12/c1-30-15-11-10-12-16-31(2)44(60-8)27-38-20-18-36(7)50(59,63-38)47(56)48(57)51-22-14-13-17-39(51)49(58)62-45(35(6)25-37-19-21-40(52)46(26-37)61-9)29-43(55)34(5)24-33(4)42(54)28-41(53)32(3)23-30/h10-12,15-16,24,30,32,34-40,42,44-46,52,54,59H,13-14,17-23,25-29H2,1-9H3/b12-10-,15-11+,31-16+,33-24-
InChIKeySRIDGLJAFSFWOP-TUSSTLFSSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) feces (BTO:0000440) MetaboLights (MTBLS9100)
ChEBI Ontology
Outgoing Relation(s)
Demethoxyrapamycin (CHEBI:230164) is a lactam (CHEBI:24995)
Demethoxyrapamycin (CHEBI:230164) is a macrolide (CHEBI:25106)
IUPAC Name 
(16E,24Z,26E,28E)-1,18-dihydroxy-12-[1-(4-hydroxy-3-methoxycyclohexyl)propan-2-yl]-30-methoxy-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone
Manual XrefsDatabases
4946081ChemSpider