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CHEBI:204139 - Homorapamycin C

ChEBI IDCHEBI:204139
ChEBI NameHomorapamycin C
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC52H81NO13
Net Charge0
Average Mass928.214
Monoisotopic Mass927.57079
SMILESCC[C@@H]1/C=C(/C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C\C=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)CC1=O
InChIInChI=1S/C52H81NO13/c1-11-38-27-35(6)47(57)48(64-10)46(56)34(5)25-31(2)17-13-12-14-18-32(3)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(30-42(38)55)33(4)26-37-21-23-41(54)45(28-37)63-9/h12-14,17-18,27,31,33-34,36-41,43-45,47-48,54,57,61H,11,15-16,19-26,28-30H2,1-10H3/b14-12?,17-13-,32-18?,35-27-/t31-,33?,34-,36-,37?,38-,39-,40+,41-,43+,44-,45-,47-,48+,52-/m1/s1
InChIKeySQCWUKMVVKXLTM-PQWYORRKSA-N
Species of MetaboliteComponentSourceComments
Streptomyces hygroscopicus (ncbitaxon:1912) - PubMed (21438579)
ChEBI Ontology
Outgoing Relation(s)
Homorapamycin C (CHEBI:204139) is a lactam (CHEBI:24995)
Homorapamycin C (CHEBI:204139) is a macrolide (CHEBI:25106)
IUPAC Name 
(1R,9S,12R,15R,16Z,18R,19R,21R,23S,24Z,30S,32R,35R)-15-ethyl-1,18-dihydroxy-12-[1-[(3R,4R)-4-hydroxy-3-methoxycyclohexyl]propan-2-yl]-19,30-dimethoxy-17,21,23,29,35-pentamethyl-11,36-dioxa-4-azatricyclo[30.3.1.04,9]hexatriaconta-16,24,26,28-tetraene-2,3,10,14,20-pentone