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CHEBI:224106 - Validamycin E

ChEBI IDCHEBI:224106
ChEBI NameValidamycin E
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H45NO18
Net Charge0
Average Mass659.635
Monoisotopic Mass659.26366
SMILESOCC1=C[C@H](N[C@H]2C[C@H](CO)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O[C@H]4O[C@@H](CO)[C@@H](O)[C@H](O)[C@H]4O)[C@H](O)[C@H]3O)[C@@H](O)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C26H45NO18/c28-3-7-1-9(14(33)17(36)13(7)32)27-10-2-8(4-29)23(19(38)15(10)34)44-26-22(41)20(39)24(12(6-31)43-26)45-25-21(40)18(37)16(35)11(5-30)42-25/h1,8-41H,2-6H2/t8-,9+,10+,11+,12+,13+,14-,15+,16-,17-,18+,19+,20-,21-,22-,23-,24-,25-,26+/m1/s1
InChIKeyMSZAIRLAOKNKFW-SVKZJSCASA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (5010646)
ChEBI Ontology
Outgoing Relation(s)
Validamycin E (CHEBI:224106) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3R,4S,5S,6S)-2-[(2S,3S,4R,5R,6R)-6-[(1R,2S,3S,4S,6R)-2,3-dihydroxy-6-(hydroxymethyl)-4-[[(1S,4S,5R,6R)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]cyclohexyl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
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78443175ChemSpider