CHEBI:205892 - Aldgamycin K

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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 Aldgamycin K
ChEBI ID CHEBI:205892
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C36H60O14
Net Charge 0
Average Mass 716.862
Monoisotopic Mass 716.39831
InChI InChI=1S/C36H60O14/c1-17-10-13-27(39)47-21(5)24(16-45-34-32(44-9)31(43-8)28(40)22(6)48-34)30-26(49-30)12-11-25(38)18(2)14-19(3)29(17)50-35-33(41)36(42,23(7)37)15-20(4)46-35/h10,13,17-24,26,28-35,37,40-42H,11-12,14-16H2,1-9H3/b13-10+/t17-,18+,19-,20+,21+,22+,23-,24+,26-,28+,29+,30-,31+,32+,33-,34+,35-,36-/m0/s1
InChIKey AGGZTILVIJJOCM-CPTWIBRHSA-N
SMILES O=C1O[C@@H]([C@H]([C@@H]2O[C@H]2CCC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C=C1)C)O[C@@H]3O[C@@H](C[C@]([C@H]3O)(O)[C@@H](O)C)C)C)C)CO[C@@H]4O[C@@H]([C@@H](O)[C@H]([C@H]4OC)OC)C)C
Metabolite of Species Details
Streptomycesspecies HK-2006-1 (NCBI:txid1470402) See: PubMed
ChEBI Ontology
Outgoing Aldgamycin K (CHEBI:205892) is a macrolide (CHEBI:25106)
IUPAC Name
(1S,2R,3R,6E,8S,9S,10S,12R,16S)-9-[(2S,3R,4S,6R)-3,4-dihydroxy-4-[(1S)-1-hydroxyethyl]-6-methyloxan-2-yl]oxy-2-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadec-6-ene-5,13-dione
Manual Xref Database
58197370 ChemSpider
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