CHEBI:223640 - Deltamycin A2

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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 Deltamycin A2
ChEBI ID CHEBI:223640
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C40H63NO16
Net Charge 0
Average Mass 813.935
Monoisotopic Mass 813.41468
InChI InChI=1S/C40H63NO16/c1-11-30(45)55-38-23(5)51-32(19-40(38,7)48)56-35-22(4)52-39(34(47)33(35)41(8)9)57-36-25(14-15-42)16-20(2)26(44)12-13-27-28(54-27)17-21(3)50-31(46)18-29(37(36)49-10)53-24(6)43/h12-13,15,20-23,25,27-29,32-39,47-48H,11,14,16-19H2,1-10H3/b13-12+/t20-,21+,22-,23+,25-,27+,28+,29+,32-,33+,34+,35-,36-,37-,38+,39-,40-/m1/s1
InChIKey FXALCAYPJGPQOF-CZCCRFTESA-N
SMILES O=C1C=C[C@@H]2O[C@H]2C[C@@H](OC(=O)C[C@@H]([C@H]([C@@H]([C@@H](C[C@H]1C)CC=O)O[C@H]3O[C@@H]([C@@H](O[C@H]4O[C@H]([C@H](OC(=O)CC)[C@@](C4)(O)C)C)[C@H]([C@@H]3O)N(C)C)C)OC)OC(=O)C)C
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing Deltamycin A2 (CHEBI:223640) is a aminoglycoside (CHEBI:47779)
IUPAC Name
[(2S,3S,4R,6R)-6-[(2R,3S,4S,5S,6R)-6-[[(1S,3S,7S,8R,9R,10S,12R,14E,16S)-7-acetyloxy-8-methoxy-3,12-dimethyl-5,13-dioxo-10-(2-oxoethyl)-4,17-dioxabicyclo[14.1.0]heptadec-14-en-9-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] propanoate
Manual Xref Database
78443113 ChemSpider
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