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CHEBI:167955 - N-(1-Deoxy-1-fructosyl)valine

ChEBI IDCHEBI:167955
ChEBI NameN-(1-Deoxy-1-fructosyl)valine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC11H21NO7
Net Charge0
Average Mass279.289
Monoisotopic Mass279.13180
SMILESCC(C)[C@H](NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O)C(=O)O
InChIInChI=1S/C11H21NO7/c1-5(2)7(10(16)17)12-4-11(18)9(15)8(14)6(3-13)19-11/h5-9,12-15,18H,3-4H2,1-2H3,(H,16,17)/t6-,7+,8-,9+,11?/m1/s1
InChIKeyOANCGDPJMNPBDV-BUFOXMIFSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
N-(1-Deoxy-1-fructosyl)valine (CHEBI:167955) is a valine derivative (CHEBI:27267)
IUPAC Name 
(2S)-3-methyl-2-[[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methylamino]butanoic acid
Manual XrefsDatabases
HMDB0037844HMDB
35014481ChemSpider