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CHEBI:173136 - N-(1-Deoxy-1-fructosyl)isoleucine

ChEBI IDCHEBI:173136
ChEBI NameN-(1-Deoxy-1-fructosyl)isoleucine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H23NO7
Net Charge0
Average Mass293.316
Monoisotopic Mass293.14745
SMILESCCC(C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O
InChIInChI=1S/C12H23NO7/c1-3-6(2)8(11(17)18)13-5-12(19)10(16)9(15)7(4-14)20-12/h6-10,13-16,19H,3-5H2,1-2H3,(H,17,18)/t6?,7-,8+,9-,10+,12?/m1/s1
InChIKeyVYGRYVGDPYFVCA-MFPOTZKYSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) feces (BTO:0000440) MetaboLights (MTBLS2721)
ChEBI Ontology
Outgoing Relation(s)
N-(1-Deoxy-1-fructosyl)isoleucine (CHEBI:173136) is a isoleucine derivative (CHEBI:24899)
IUPAC Name 
(2S)-3-methyl-2-[[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methylamino]pentanoic acid
Manual XrefsDatabases
35014874ChemSpider
HMDB0039780HMDB