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CHEBI:218183 - Homorapamycin B

ChEBI IDCHEBI:218183
ChEBI NameHomorapamycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H81NO13
Net Charge0
Average Mass928.214
Monoisotopic Mass927.57079
SMILESCC[C@@H]1C=CC=CC=C(C)[C@@H](OC)C[C@H]2CC[C@@H](C)[C@@](O)(O2)C(=O)C(=O)N2CCCC[C@H]2C(=O)O[C@@H](C(C)CC2CC[C@@H](O)[C@H](OC)C2)CC(=O)[C@H](C)/C=C(/C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C1
InChIInChI=1S/C52H81NO13/c1-11-37-18-14-12-13-17-31(2)43(62-8)29-39-22-20-36(7)52(61,66-39)49(58)50(59)53-24-16-15-19-40(53)51(60)65-44(33(4)26-38-21-23-41(54)45(28-38)63-9)30-42(55)32(3)25-34(5)46(56)48(64-10)47(57)35(6)27-37/h12-14,17-18,25,32-33,35-41,43-46,48,54,56,61H,11,15-16,19-24,26-30H2,1-10H3/b13-12?,18-14?,31-17?,34-25-/t32-,33?,35-,36-,37-,38?,39-,40+,41-,43+,44-,45-,46-,48-,52-/m1/s1
InChIKeyXBZRWMBSOMJCLS-UTPRINMESA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - PubMed (21438579)
ChEBI Ontology
Outgoing Relation(s)
Homorapamycin B (CHEBI:218183) is a lactam (CHEBI:24995)
Homorapamycin B (CHEBI:218183) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,9S,12R,15R,16Z,18R,19R,21R,23S,30S,32R,35R)-23-ethyl-1,18-dihydroxy-12-[1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-15,17,21,29,35-pentamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone