CHEBI:214823 - CKD-711

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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 CKD-711
ChEBI ID CHEBI:214823
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C25H43NO20
Net Charge 0
Average Mass 677.606
Monoisotopic Mass 677.23784
InChI InChI=1S/C25H43NO20/c27-1-5-8(26-9-11(32)14(35)20(39)25(4-30)21(9)46-25)10(31)16(37)23(42-5)45-19-7(3-29)43-24(17(38)13(19)34)44-18-6(2-28)41-22(40)15(36)12(18)33/h5-24,26-40H,1-4H2/t5-,6-,7-,8-,9-,10+,11+,12-,13-,14-,15-,16-,17-,18-,19-,20+,21-,22?,23-,24-,25+/m1/s1
InChIKey PHKYGBHARUTZOY-KTVVNDHVSA-N
SMILES O1[C@H](O[C@H]2[C@H](O)[C@@H](O)C(O)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]([C@H]1CO)O[C@H]3O[C@@H]([C@@H](N[C@@H]4[C@H](O)[C@@H](O)[C@H](O)[C@]5([C@@H]4O5)CO)[C@@H]([C@H]3O)O)CO
Metabolite of Species Details
Streptomyces (NCBI:txid1883) See: PubMed
ChEBI Ontology
Outgoing CKD-711 (CHEBI:214823) is a amino cyclitol (CHEBI:61689)
CKD-711 (CHEBI:214823) is a glycoside (CHEBI:24400)
IUPAC Name
(1S,2S,3R,4S,5R,6R)-5-[[(2S,3S,4S,5R,6R)-6-[(2R,3S,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-1-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
Manual Xref Database
9160475 ChemSpider
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