CHEBI:219444 - Oasomycin B

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name Oasomycin B
ChEBI ID CHEBI:219444
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C61H104O22
Net Charge 0
Average Mass 1189.481
Monoisotopic Mass 1188.70192
InChI InChI=1S/C61H104O22/c1-31-14-10-11-18-45(68)36(6)55(74)32(2)15-12-16-34(4)60(79)81-49(39(9)50-22-23-53(72)80-50)19-13-17-40(63)25-41(64)27-46(69)37(7)56(75)38(8)47(70)28-42(65)26-43(66)29-48(71)51(24-35(5)54(73)33(3)20-21-44(31)67)82-61-59(78)58(77)57(76)52(30-62)83-61/h10,13-14,16-17,20-21,24,31-33,36-52,54-59,61-71,73-78H,11-12,15,18-19,22-23,25-30H2,1-9H3/t31?,32?,33?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?,47?,48?,49?,50?,51?,52-,54?,55?,56?,57-,58+,59+,61+/m1/s1
InChIKey QDNMAZUKNSYLDM-OHNVWHHGSA-N
SMILES O=C1OC(C(C2OC(=O)CC2)C)CC=CC(O)CC(O)CC(O)C(C(O)C(C(O)CC(O)CC(O)CC(O)C(O[C@H]3O[C@@H]([C@@H](O)[C@@H]([C@@H]3O)O)CO)C=C(C(C(C=CC(C(C=CCCC(C(C(C(CCC=C1C)C)O)C)O)C)O)C)O)C)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: DOI
ChEBI Ontology
Outgoing Oasomycin B (CHEBI:219444) is a macrolide (CHEBI:25106)
IUPAC Name
8,10,16,20,24,26,28,30,32,34,36,38-dodecahydroxy-3,7,9,15,19,21,31,33-octamethyl-42-[1-(5-oxooxolan-2-yl)ethyl]-23-[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-oxacyclodotetraconta-3,13,17,21,39-pentaen-2-one