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CHEBI:214108 - CKD-711a

ChEBI IDCHEBI:214108
ChEBI NameCKD-711a
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC37H63NO30
Net Charge0
Average Mass1001.888
Monoisotopic Mass1001.34349
SMILESOC[C@H]1O[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@H]3[C@H](O)[C@@H](O)[C@@H](O[C@H]4[C@H](O)[C@@H](O)[C@@H](O[C@H]5[C@H](O)[C@@H](O)C(O)O[C@@H]5CO)O[C@@H]4CO)O[C@@H]3CO)O[C@@H]2CO)[C@H](O)[C@@H](O)[C@@H]1N[C@@H]1[C@H](O)[C@@H](O)[C@H](O)[C@]2(CO)O[C@H]12
InChIInChI=1S/C37H63NO30/c39-1-7-12(38-13-15(46)20(51)30(57)37(6-44)31(13)68-37)14(45)22(53)33(60-7)65-27-9(3-41)62-35(24(55)17(27)48)67-29-11(5-43)63-36(25(56)19(29)50)66-28-10(4-42)61-34(23(54)18(28)49)64-26-8(2-40)59-32(58)21(52)16(26)47/h7-36,38-58H,1-6H2/t7-,8-,9-,10-,11-,12-,13-,14+,15+,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30+,31-,32?,33-,34-,35-,36-,37+/m1/s1
InChIKeyJGIZCJAHDIYHDR-MOMRXTTMSA-N
Species of MetaboliteComponentSourceComments
Streptomyces (ncbitaxon:1883) - PubMed (12139013)
ChEBI Ontology
Outgoing Relation(s)
CKD-711a (CHEBI:214108) is a amino cyclitol (CHEBI:61689)
CKD-711a (CHEBI:214108) 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)-6-[(2R,3S,4R,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]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]amino]-1-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol
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