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CHEBI:199320 - Didemethylallosamidin

ChEBI IDCHEBI:199320
ChEBI NameDidemethylallosamidin
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H38N4O14
Net Charge0
Average Mass594.571
Monoisotopic Mass594.23845
SMILESCC(=O)NC1C(OC2C(CO)OC(OC3C(O)C4N=C(N)OC4C3CO)C(NC(C)=O)C2O)OC(CO)C(O)C1O
InChIInChI=1S/C23H38N4O14/c1-6(31)25-12-15(34)14(33)9(4-29)37-21(12)40-20-10(5-30)38-22(13(17(20)36)26-7(2)32)39-19-8(3-28)18-11(16(19)35)27-23(24)41-18/h8-22,28-30,33-36H,3-5H2,1-2H3,(H2,24,27)(H,25,31)(H,26,32)
InChIKeySJBDYZNJEJAEND-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (8244887)
ChEBI Ontology
Outgoing Relation(s)
Didemethylallosamidin (CHEBI:199320) is a N-acyl-hexosamine (CHEBI:21656)
IUPAC Name 
N-[2-[5-acetamido-6-[[2-amino-4-hydroxy-6-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]oxazol-5-yl]oxy]-4-hydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
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78443910ChemSpider