CHEBI:206684 - Qinimycin C

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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 C
ChEBI ID CHEBI:206684
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C24H31NO9
Net Charge 0
Average Mass 477.510
Monoisotopic Mass 477.19988
InChI InChI=1S/C24H31NO9/c1-10-13(25(3)4)6-8-15(32-10)12-5-7-14(26)19-18(12)21(30)24-20(29)16(9-17(27)28)33-11(2)23(24,34-24)22(19)31/h5,7,10-11,13,15-16,20,22,26,29,31H,6,8-9H2,1-4H3,(H,27,28)/t10-,11-,13+,15-,16-,20+,22+,23?,24?/m1/s1
InChIKey IJWOGEDUGWKPMP-HEIGYANFSA-N
SMILES O=C1C2=C(C(O)=CC=C2[C@@H]3O[C@@H]([C@@H](N(C)C)CC3)C)[C@H](O)C45C1(O4)[C@@H](O)[C@@H](CC(=O)O)O[C@@H]5C
Metabolite of Species Details
Streptomyces roseifaciens (NCBI:txid1488406) See: PubMed
ChEBI Ontology
Outgoing Qinimycin C (CHEBI:206684) is a organic heterotricyclic compound (CHEBI:26979)
Qinimycin C (CHEBI:206684) is a organooxygen compound (CHEBI:36963)
IUPAC Name
2-[(9S,11R,13R,14S)-4-[(2R,5S,6R)-5-(dimethylamino)-6-methyloxan-2-yl]-7,9,14-trihydroxy-11-methyl-2-oxo-12,15-dioxatetracyclo[8.4.1.01,10.03,8]pentadeca-3,5,7-trien-13-yl]acetic acid
Manual Xref Database
78443324 ChemSpider
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