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CHEBI:205904 - Aldgamycin M

ChEBI IDCHEBI:205904
ChEBI NameAldgamycin M
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H58O14
Net Charge0
Average Mass726.857
Monoisotopic Mass726.38266
SMILESCO[C@@H]1[C@H](O)[C@@H](C)O[C@@H](OC[C@H]2/C=C/CCC(=O)[C@H](C)C[C@H](C)[C@H](O[C@@H]3O[C@H](C)C[C@@]4(OC(=O)O[C@H]4C)[C@H]3O)[C@@H](C)/C=C/C(=O)O[C@@H]2C)[C@@H]1OC
InChIInChI=1S/C37H58O14/c1-19-14-15-28(39)47-23(5)26(18-45-34-32(44-9)31(43-8)29(40)24(6)48-34)12-10-11-13-27(38)20(2)16-21(3)30(19)50-35-33(41)37(17-22(4)46-35)25(7)49-36(42)51-37/h10,12,14-15,19-26,29-35,40-41H,11,13,16-18H2,1-9H3/b12-10+,15-14+/t19-,20+,21-,22+,23+,24+,25-,26+,29+,30+,31+,32+,33-,34+,35-,37-/m0/s1
InChIKeyIJELZOHTNRSVIA-BLTGTOLBSA-N
Species of MetaboliteComponentSourceComments
Streptomycesspecies HK-2006-1 (ncbitaxon:1470402) - PubMed (27690254)
ChEBI Ontology
Outgoing Relation(s)
Aldgamycin M (CHEBI:205904) is a macrolide (CHEBI:25106)
IUPAC Name 
(3E,5S,6S,7S,9R,13E,15R,16R)-15-[[(2R,3R,4R,5R,6R)-5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl]oxymethyl]-6-[[(4S,5R,6R,7S,9R)-6-hydroxy-4,9-dimethyl-2-oxo-1,3,8-trioxaspiro[4.5]decan-7-yl]oxy]-5,7,9,16-tetramethyl-1-oxacyclohexadeca-3,13-diene-2,10-dione
Manual XrefsDatabases
58197372ChemSpider