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CHEBI:223846 - (2S)-5-[[(E)-5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-methylpent-2-enoyl]-hydroxyamino]-2-(dimethylamino)pentanoic acid

ChEBI IDCHEBI:223846
ChEBI Name(2S)-5-[[(E)-5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-methylpent-2-enoyl]-hydroxyamino]-2-(dimethylamino)pentanoic acid
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H36N2O10
Net Charge0
Average Mass464.512
Monoisotopic Mass464.23700
SMILESCOC1C(CO)OC(OCC/C(C)=C/C(=O)N(O)CCC[C@@H](C(=O)O)N(C)C)C(O)C1O
InChIInChI=1S/C20H36N2O10/c1-12(10-15(24)22(29)8-5-6-13(19(27)28)21(2)3)7-9-31-20-17(26)16(25)18(30-4)14(11-23)32-20/h10,13-14,16-18,20,23,25-26,29H,5-9,11H2,1-4H3,(H,27,28)/b12-10+/t13-,14?,16?,17?,18?,20?/m0/s1
InChIKeyCMJMDHYIKZGKPX-UKHMZJPSSA-N
Species of MetaboliteComponentSourceComments
Beauveria bassiana (ncbitaxon:176275) - PubMed (32058711)
ChEBI Ontology
Outgoing Relation(s)
(2S)-5-[[(E)-5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-methylpent-2-enoyl]-hydroxyamino]-2-(dimethylamino)pentanoic acid (CHEBI:223846) is a O-acyl carbohydrate (CHEBI:52782)
IUPAC Name 
(2S)-5-[[(E)-5-[3,4-dihydroxy-6-(hydroxymethyl)-5-methoxyoxan-2-yl]oxy-3-methylpent-2-enoyl]-hydroxyamino]-2-(dimethylamino)pentanoic acid