CHEBI:219531 - Selvamicin

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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 Selvamicin
ChEBI ID CHEBI:219531
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C47H76O18
Net Charge 0
Average Mass 929.107
Monoisotopic Mass 928.50317
InChI InChI=1S/C47H76O18/c1-8-35-27(3)43(64-39-23-34(51)44(59-7)29(5)60-39)26(2)17-15-13-11-9-10-12-14-16-18-31(62-45-42(56)41(55)40(54)28(4)61-45)22-37-46(6,57)36(52)25-47(58,65-37)24-30(48)21-33(50)32(49)19-20-38(53)63-35/h9-18,26-37,39-45,48-52,54-58H,8,19-25H2,1-7H3/b10-9+,13-11+,14-12+,17-15+,18-16+/t26?,27?,28-,29+,30+,31?,32-,33-,34-,35?,36+,37+,39+,40-,41+,42+,43?,44+,45+,46+,47-/m1/s1
InChIKey OCINEXWUTLUUBF-VRHNVQFVSA-N
SMILES O=C1OC(C(C(O[C@@H]2O[C@H]([C@H](OC)[C@@H](C2)O)C)C(C=CC=CC=CC=CC=CC(C[C@@H]3O[C@@](C[C@H](C[C@H]([C@@H](CC1)O)O)O)(O)C[C@H](O)[C@@]3(O)C)O[C@@H]4O[C@@H]([C@@H](O)[C@@H]([C@@H]4O)O)C)C)C)CC
Metabolite of Species Details
Pseudonocardiaspecies (NCBI:txid60912) See: PubMed
ChEBI Ontology
Outgoing Selvamicin (CHEBI:219531) is a macrolide (CHEBI:25106)
IUPAC Name
(1R,3S,5R,6R,15E,17E,19E,21E,23E,27S,28S,29S)-11-ethyl-1,3,5,6,28,29-hexahydroxy-13-[(2R,4R,5R,6S)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy-12,14,28-trimethyl-25-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-10,31-dioxabicyclo[25.3.1]hentriaconta-15,17,19,21,23-pentaen-9-one