CHEBI:206672 - Qinimycin A

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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 Qinimycin A
ChEBI ID CHEBI:206672
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C23H27NO8
Net Charge 0
Average Mass 445.468
Monoisotopic Mass 445.17367
InChI InChI=1S/C23H27NO8/c1-9-12(24-3)5-7-14(29-9)11-4-6-13(25)18-17(11)19(27)23-21-15(8-16(26)31-21)30-10(2)22(23,32-23)20(18)28/h4,6,9-10,12,14-15,20-21,24-25,28H,5,7-8H2,1-3H3/t9-,10-,12+,14-,15-,20+,21+,22?,23?/m1/s1
InChIKey UCKANQZWVUWWDC-NUGHILLPSA-N
SMILES O=C1C2=C(C(O)=CC=C2[C@@H]3O[C@@H]([C@@H](NC)CC3)C)[C@H](O)C45C1(O4)[C@H]6OC(=O)C[C@H]6O[C@@H]5C
Metabolite of Species Details
Streptomyces roseifaciens (NCBI:txid1488406) See: PubMed
ChEBI Ontology
Outgoing Qinimycin A (CHEBI:206672) is a organic heterotricyclic compound (CHEBI:26979)
Qinimycin A (CHEBI:206672) is a organooxygen compound (CHEBI:36963)
IUPAC Name
(2S,11S,15R,17R)-2,4-dihydroxy-17-methyl-7-[(2R,5S,6R)-6-methyl-5-(methylamino)oxan-2-yl]-12,16,18-trioxapentacyclo[8.7.1.01,10.03,8.011,15]octadeca-3,5,7-triene-9,13-dione
Manual Xref Database
76786890 ChemSpider
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