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CHEBI:216886 - Demethylallosamidin

ChEBI IDCHEBI:216886
ChEBI NameDemethylallosamidin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC24H40N4O14
Net Charge0
Average Mass608.598
Monoisotopic Mass608.25410
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](CO)[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/C24H40N4O14/c1-7(32)26-13-16(35)15(34)10(5-30)38-22(13)41-21-11(6-31)39-23(14(18(21)37)27-8(2)33)40-20-9(4-29)19-12(17(20)36)28-24(25-3)42-19/h9-23,29-31,34-37H,4-6H2,1-3H3,(H,25,28)(H,26,32)(H,27,33)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19-,20+,21+,22-,23-/m0/s1
InChIKeyNYHHTEVXEUTBMH-AJPXZRRQSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - DOI (10.1271/bbb1961.53.2825)
ChEBI Ontology
Outgoing Relation(s)
Demethylallosamidin (CHEBI:216886) is a N-acyl-hexosamine (CHEBI:21656)
IUPAC Name 
N-[(2S,3R,4S,5S,6R)-2-[(2R,3S,4S,5R,6R)-6-[[(3aR,4R,5R,6S,6aS)-4-hydroxy-6-(hydroxymethyl)-2-(methylamino)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-yl]oxy]-5-acetamido-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Manual XrefsDatabases
4450940ChemSpider