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CHEBI:221766 - Ashimycin A

ChEBI IDCHEBI:221766
ChEBI NameAshimycin A
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SubmitterMetaboLights
DownloadsMolfile
FormulaC27H47N7O18
Net Charge0
Average Mass757.704
Monoisotopic Mass757.29776
SMILESCN[C@@H]1[C@@H](O[C@@H]2[C@@H](O[C@@H]3[C@H](O)[C@H](O)[C@H](N=C(N)N)[C@@H](O)[C@@H]3N=C(N)N)O[C@@H](C)[C@]2(O)C=O)O[C@@H](CO)[C@H](O[C@H]2O[C@H](CO)[C@@H](O)[C@@]2(O)C(=O)O)[C@H]1O
InChIInChI=1S/C27H47N7O18/c1-6-26(45,5-37)19(21(47-6)50-17-10(34-25(30)31)12(38)9(33-24(28)29)13(39)15(17)41)52-20-11(32-2)14(40)16(7(3-35)48-20)51-23-27(46,22(43)44)18(42)8(4-36)49-23/h5-21,23,32,35-36,38-42,45-46H,3-4H2,1-2H3,(H,43,44)(H4,28,29,33)(H4,30,31,34)/t6-,7-,8+,9+,10-,11-,12+,13+,14-,15+,16-,17-,18+,19+,20+,21+,23+,26+,27+/m0/s1
InChIKeyILBIJYYHQHTSRJ-BYPLPWHCSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (2503480)
ChEBI Ontology
Outgoing Relation(s)
Ashimycin A (CHEBI:221766) is a amino cyclitol (CHEBI:61689)
Ashimycin A (CHEBI:221766) is a glycoside (CHEBI:24400)
IUPAC Name 
(2R,3S,4R,5R)-2-[(2S,3R,4S,5S,6R)-6-[(2S,3S,4R,5S)-2-[(1S,2S,3R,4R,5R,6R)-2,4-bis(diaminomethylideneamino)-3,5,6-trihydroxycyclohexyl]oxy-4-ormyl-4-hydroxy-5-methyloxolan-3-yl]oxy-4-hydroxy-2-(hydroxymethyl)-5-(methylamino)oxan-3-yl]oxy-3,4-dihydroxy-5-(hydroxymethyl)oxolane-3-carboxylic acid
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