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CHEBI:169016 - N-(1-Deoxy-1-fructosyl)histidine

ChEBI IDCHEBI:169016
ChEBI NameN-(1-Deoxy-1-fructosyl)histidine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19N3O7
Net Charge0
Average Mass317.298
Monoisotopic Mass317.12230
SMILESO=C(O)[C@H](Cc1cncn1)NCC1(O)O[C@H](CO)[C@@H](O)[C@@H]1O
InChIInChI=1S/C12H19N3O7/c16-3-8-9(17)10(18)12(21,22-8)4-14-7(11(19)20)1-6-2-13-5-15-6/h2,5,7-10,14,16-18,21H,1,3-4H2,(H,13,15)(H,19,20)/t7-,8+,9+,10-,12?/m0/s1
InChIKeyUCRYORFHYVRBIO-PPNLDZOPSA-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)histidine (CHEBI:169016) is a histidine derivative (CHEBI:24599)
IUPAC Name 
(2S)-3-(1H-imidazol-5-yl)-2-[[(3S,4S,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)oxolan-2-yl]methylamino]propanoic acid
Manual XrefsDatabases
35014477ChemSpider
HMDB0037839HMDB