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CHEBI:205892 - Aldgamycin K

ChEBI IDCHEBI:205892
ChEBI NameAldgamycin K
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC36H60O14
Net Charge0
Average Mass716.862
Monoisotopic Mass716.39831
SMILESCO[C@@H]1[C@H](O)[C@@H](C)O[C@@H](OC[C@H]2[C@@H]3O[C@H]3CCC(=O)[C@H](C)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@](O)([C@H](C)O)[C@H]3O)[C@@H](C)/C=C/C(=O)O[C@@H]2C)[C@@H]1OC
InChIInChI=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
InChIKeyAGGZTILVIJJOCM-CPTWIBRHSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies HK-2006-1 (ncbitaxon:1470402) - PubMed (27690254)
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
58197370ChemSpider