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CHEBI:224544 - Methyl-N-demethyl-allosamidin

ChEBI IDCHEBI:224544
ChEBI NameMethyl-N-demethyl-allosamidin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC25H42N4O14
Net Charge0
Average Mass622.625
Monoisotopic Mass622.26975
SMILESCN=C1N[C@H]2[C@H](O)[C@@H](O[C@@H]3O[C@@H](CO)[C@@H](O[C@@H]4O[C@H](COC)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O)[C@H]3NC(C)=O)[C@H](CO)[C@H]2O1
InChIInChI=1S/C25H42N4O14/c1-8(32)27-14-17(35)16(34)12(7-38-4)40-23(14)42-22-11(6-31)39-24(15(19(22)37)28-9(2)33)41-21-10(5-30)20-13(18(21)36)29-25(26-3)43-20/h10-24,30-31,34-37H,5-7H2,1-4H3,(H,26,29)(H,27,32)(H,28,33)/t10-,11+,12-,13+,14-,15-,16-,17-,18+,19+,20-,21+,22-,23+,24+/m1/s1
InChIKeyMJUOPNSEEIKMFW-GBENVBBLSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (1880061)
ChEBI Ontology
Outgoing Relation(s)
Methyl-N-demethyl-allosamidin (CHEBI:224544) is a N-acyl-hexosamine (CHEBI:21656)
IUPAC Name 
N-[(2S,3R,4R,5S,6R)-2-[(2S,3S,4S,5R,6R)-6-[[(3aS,4S,5S,6R,6aR)-4-hydroxy-6-(hydroxymethyl)-2-methylimino-3,3a,4,5,6,6a-hexahydrocyclopenta[d][1,3]oxazol-5-yl]oxy]-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(methoxymethyl)oxan-3-yl]acetamide
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78443217ChemSpider