CHEBI:210494 - 44-Homooligomycin 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 44-Homooligomycin B
ChEBI ID CHEBI:210494
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C46H74O12
Net Charge 0
Average Mass 819.086
Monoisotopic Mass 818.51803
InChI InChI=1S/C46H74O12/c1-12-33-18-16-14-15-17-26(4)43(53)45(11,55)44(54)32(10)41(52)31(9)40(51)30(8)39(50)25(3)19-22-38(49)56-42-29(7)35(21-20-33)57-46(34(42)13-2)37(48)23-27(5)36(58-46)24-28(6)47/h14-16,18-19,22,25-36,39,41-43,47,50,52-53,55H,12-13,17,20-21,23-24H2,1-11H3
InChIKey VVNFPMGPKYNROA-UHFFFAOYSA-N
SMILES O=C1OC2C(C3(OC(C2C)CCC(C=CC=CCC(C)C(C(C(C(C(C(C(C(C(C(C=C1)C)O)C)=O)C)O)C)=O)(O)C)O)CC)OC(C(C)CC3=O)CC(O)C)CC
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing 44-Homooligomycin B (CHEBI:210494) is a macrolide (CHEBI:25106)
IUPAC Name
22,28-diethyl-7,11,14,15-tetrahydroxy-6'-(2-hydroxypropyl)-5',6,8,10,12,14,16,29-octamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,3',9,13-tetrone