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CHEBI:218781 - Oasomycin A

ChEBI IDCHEBI:218781
ChEBI NameOasomycin A
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC55H94O17
Net Charge0
Average Mass1027.340
Monoisotopic Mass1026.64910
SMILESCC1=CCCC(C)C(O)C(C)C(O)CCC=CC(C)C(O)C=CC(C)C(O)C(C)=CC(O)C(O)CC(O)CC(O)CC(O)C(C)C(O)C(C)C(O)CC(O)CC(O)C=CCC(C(C)C2CCC(=O)O2)OC1=O
InChIInChI=1S/C55H94O17/c1-30-14-10-11-18-44(61)35(6)53(68)31(2)15-12-16-33(4)55(70)72-49(38(9)50-22-23-51(66)71-50)19-13-17-39(56)25-40(57)27-45(62)36(7)54(69)37(8)46(63)28-41(58)26-42(59)29-48(65)47(64)24-34(5)52(67)32(3)20-21-43(30)60/h10,13-14,16-17,20-21,24,30-32,35-50,52-54,56-65,67-69H,11-12,15,18-19,22-23,25-29H2,1-9H3
InChIKeyXPHCLQKEPBACSY-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1002/jlac.199319930193)
ChEBI Ontology
Outgoing Relation(s)
Oasomycin A (CHEBI:218781) is a macrolide (CHEBI:25106)
IUPAC Name 
8,10,16,20,23,24,26,28,30,32,34,36,38-tridecahydroxy-3,7,9,15,19,21,31,33-octamethyl-42-[1-(5-oxooxolan-2-yl)ethyl]-1-oxacyclodotetraconta-3,13,17,21,39-pentaen-2-one