CHEBI:205904 - Aldgamycin M

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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 M
ChEBI ID CHEBI:205904
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C37H58O14
Net Charge 0
Average Mass 726.857
Monoisotopic Mass 726.38266
InChI InChI=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
InChIKey IJELZOHTNRSVIA-BLTGTOLBSA-N
SMILES O=C1O[C@@H]([C@H](C=CCCC(=O)[C@@H](C[C@@H]([C@@H]([C@H](C=C1)C)O[C@@H]2O[C@@H](C[C@]3([C@H]2O)OC(=O)O[C@H]3C)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 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 Xref Database
58197372 ChemSpider
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