CHEBI:190268 - 2'''-N-Acetyl-6'''-deamino-6'''-hydroxyparomomycin II

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 2'''-N-Acetyl-6'''-deamino-6'''-hydroxyparomomycin II
ChEBI ID CHEBI:190268
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H46N4O16
Net Charge 0
Average Mass 658.655
Monoisotopic Mass 658.29088
InChI InChI=1S/C25H46N4O16/c1-6(33)29-13-18(38)16(36)10(4-31)41-24(13)44-21-11(5-32)42-25(19(21)39)45-22-14(34)7(26)2-8(27)20(22)43-23-12(28)17(37)15(35)9(3-30)40-23/h7-25,30-32,34-39H,2-5,26-28H2,1H3,(H,29,33)/t7-,8+,9-,10-,11-,12-,13-,14+,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25+/m1/s1
InChIKey BTGHERUFBGVQJR-KVQCZYKRSA-N
SMILES O([C@H]1[C@H](O[C@H]2O[C@@H]([C@@H](O)[C@H](O)[C@H]2N)CO)[C@@H](N)C[C@@H](N)[C@@H]1O)[C@@H]3O[C@@H]([C@@H](O[C@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4NC(=O)C)CO)[C@H]3O)CO
Metabolite of Species Details
Synechococcus elongatus PCC 7942 (NCBI:txid32046) Found in cell culture (BTO:0000214). See: MetaboLights Study
ChEBI Ontology
Outgoing 2'''-N-Acetyl-6'''-deamino-6'''-hydroxyparomomycin II (CHEBI:190268) is a 2-deoxystreptamine derivative (CHEBI:61800)
IUPAC Name
N-[(2R,3R,4R,5S,6R)-2-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
Manual Xref Database
C21261 KEGG COMPOUND
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