CHEBI:200232 - MS-282a

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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 MS-282a
ChEBI ID CHEBI:200232
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C37H65NO7
Net Charge 0
Average Mass 635.927
Monoisotopic Mass 635.47610
InChI InChI=1S/C37H65NO7/c1-9-11-12-14-27(38(7)8)21-29-15-17-31(41-29)23(3)35-24(4)32-19-20-34(44-32)26(6)36(39)43-28(13-10-2)22-30-16-18-33(42-30)25(5)37(40)45-35/h23-35H,9-22H2,1-8H3
InChIKey XYDPOPJRWPLBNE-UHFFFAOYSA-N
SMILES O=C1OC(C(C2OC(C(C(=O)OC(CC3OC(C1C)CC3)CCC)C)CC2)C)C(C4OC(CC(N(C)C)CCCCC)CC4)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing MS-282a (CHEBI:200232) is a macrolide (CHEBI:25106)
IUPAC Name
5-[1-[5-[2-(dimethylamino)heptyl]oxolan-2-yl]ethyl]-2,6,11-trimethyl-14-propyl-4,13,19,20-tetraoxatricyclo[14.2.1.17,10]icosane-3,12-dione
Manual Xref Database
8230417 ChemSpider
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