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CHEBI:221760 - Ashimycin B

ChEBI IDCHEBI:221760
ChEBI NameAshimycin B
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC23H41N7O14
Net Charge0
Average Mass639.616
Monoisotopic Mass639.27115
SMILESC[C@H]1O[C@@H](O[C@@H]2[C@H](O)[C@@H](O)[C@@H](N=C(N)N)[C@H](O)[C@H]2N=C(N)N)[C@@H](O[C@@H]2O[C@@H](CO)[C@H](O)[C@@H](O)[C@@H]2N(C)C(=O)CO)[C@]1(O)C=O
InChIInChI=1S/C23H41N7O14/c1-6-23(40,5-33)18(44-19-11(30(2)8(34)4-32)15(38)12(35)7(3-31)42-19)20(41-6)43-17-10(29-22(26)27)13(36)9(28-21(24)25)14(37)16(17)39/h5-7,9-20,31-32,35-40H,3-4H2,1-2H3,(H4,24,25,28)(H4,26,27,29)/t6-,7+,9+,10-,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,23+/m1/s1
InChIKeyQGZXKOYUROSPLZ-OXUUYJNGSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2503480)
ChEBI Ontology
Outgoing Relation(s)
Ashimycin B (CHEBI:221760) is a N-acyl-hexosamine (CHEBI:21656)
IUPAC Name 
N-[(2S,3S,4S,5R,6S)-2-[(2R,3S,4S,5R)-2-[(1S,2R,3S,4S,5S,6R)-2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-ormyl-4-hydroxy-5-methyloxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]-2-hydroxy-N-methylacetamide
Manual XrefsDatabases
78442948ChemSpider