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CHEBI:205470 - 15-Deoxo-7,32-O-didesmethyl-rapamycin

ChEBI IDCHEBI:205470
ChEBI Name15-Deoxo-7,32-O-didesmethyl-rapamycin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC49H77NO12
Net Charge0
Average Mass872.150
Monoisotopic Mass871.54458
SMILESCO[C@H]1C[C@H](C[C@@H](C)[C@H]2CC(=O)[C@H](C)/C=C(/C)[C@@H](O)[C@@H](O)C(=O)[C@H](C)C[C@H](C)/C=C\C=CC=C(C)[C@@H](O)C[C@H]3CC[C@@H](C)[C@](O)(CC(=O)N4CCCC[C@H]4C(=O)O2)O3)CC[C@H]1O
InChIInChI=1S/C49H77NO12/c1-29-14-10-9-11-15-30(2)40(52)26-37-19-17-35(7)49(59,62-37)28-44(54)50-21-13-12-16-38(50)48(58)61-42(32(4)24-36-18-20-39(51)43(25-36)60-8)27-41(53)31(3)23-34(6)46(56)47(57)45(55)33(5)22-29/h9-11,14-15,23,29,31-33,35-40,42-43,46-47,51-52,56-57,59H,12-13,16-22,24-28H2,1-8H3/b11-9?,14-10-,30-15?,34-23-/t29-,31-,32-,33-,35-,36+,37-,38+,39-,40+,42-,43+,46-,47+,49+/m1/s1
InChIKeyOKJDOGTYAJCIFZ-VGSQRICQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - PubMed (15376559)
ChEBI Ontology
Outgoing Relation(s)
15-Deoxo-7,32-O-didesmethyl-rapamycin (CHEBI:205470) is a lactam (CHEBI:24995)
15-Deoxo-7,32-O-didesmethyl-rapamycin (CHEBI:205470) is a macrolide (CHEBI:25106)
IUPAC Name 
(1S,9S,12R,15R,16Z,18R,19R,21R,23S,24Z,30S,32R,35R)-1,18,19,30-tetrahydroxy-12-[(2R)-1-[(1S,3S,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-15,17,21,23,29,35-hexamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-3,10,14,20-tetrone