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CHEBI:203675 - Homorapamycin A

ChEBI IDCHEBI:203675
ChEBI NameHomorapamycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H81NO13
Net Charge0
Average Mass928.214
Monoisotopic Mass927.57079
SMILESCC[C@@H]1CC[C@@H]2C[C@H](OC)C(C)=CC=C/C=C\[C@@H](C)C[C@@H](C)C(=O)[C@H](OC)[C@H](O)/C(C)=C\[C@@H](C)C(=O)C[C@H](C(C)CC3CC[C@@H](O)[C@H](OC)C3)OC(=O)[C@@H]3CCCCN3C(=O)C(=O)[C@]1(O)O2
InChIInChI=1S/C52H81NO13/c1-11-38-21-22-39-29-43(62-8)32(3)18-14-12-13-17-31(2)25-35(6)46(56)48(64-10)47(57)36(7)26-33(4)42(55)30-44(34(5)27-37-20-23-41(54)45(28-37)63-9)65-51(60)40-19-15-16-24-53(40)50(59)49(58)52(38,61)66-39/h12-14,17-18,26,31,33-35,37-41,43-45,47-48,54,57,61H,11,15-16,19-25,27-30H2,1-10H3/b14-12?,17-13-,32-18?,36-26-/t31-,33-,34?,35-,37?,38-,39-,40+,41-,43+,44-,45-,47-,48+,52-/m1/s1
InChIKeyRAWWLYPBGFTVQL-UFJKAKNFSA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - PubMed (21438579)
ChEBI Ontology
Outgoing Relation(s)
Homorapamycin A (CHEBI:203675) is a lactam (CHEBI:24995)
Homorapamycin A (CHEBI:203675) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,9S,12R,15R,16Z,18R,19R,21R,23S,24Z,30S,32R,35R)-35-ethyl-1,18-dihydroxy-12-[1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,23,29-pentamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone