CHEBI:204989 - Mycinamicin XVIII

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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 Mycinamicin XVIII
ChEBI ID CHEBI:204989
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C29H47NO8
Net Charge 0
Average Mass 537.694
Monoisotopic Mass 537.33017
InChI InChI=1S/C29H47NO8/c1-8-23-20(15-31)28-24(37-28)11-10-22(32)17(3)13-18(4)27(16(2)9-12-25(33)36-23)38-29-26(34)21(30(6)7)14-19(5)35-29/h9-12,16-21,23-24,26-29,31,34H,8,13-15H2,1-7H3/t16-,17-,18-,19-,20+,21?,23-,24+,26?,27-,28-,29+/m1/s1
InChIKey KLZBTEAFUVTFPC-RZIRKPLNSA-N
SMILES O=C1O[C@@H]([C@@H]([C@H]2O[C@H]2C=CC(=O)[C@@H](C[C@H]([C@@H]([C@@H](C=C1)C)O[C@@H]3O[C@@H](CC(C3O)N(C)C)C)C)C)CO)CC
Metabolite of Species Details
Micromonospora (NCBI:txid1873) See: PubMed
ChEBI Ontology
Outgoing Mycinamicin XVIII (CHEBI:204989) is a aminoglycoside (CHEBI:47779)
IUPAC Name
(1R,2S,3R,8R,9S,10R,12R,16S)-9-[(2S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-3-ethyl-2-(hydroxymethyl)-8,10,12-trimethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione