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

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name N-(1-Deoxy-1-fructosyl)histidine
ChEBI ID CHEBI:169016
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C12H19N3O7
Net Charge 0
Average Mass 317.298
Monoisotopic Mass 317.12230
InChI InChI=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
InChIKey UCRYORFHYVRBIO-PPNLDZOPSA-N
SMILES O1C(O)([C@@H](O)[C@H](O)[C@H]1CO)CN[C@@H](CC=2NC=NC2)C(O)=O
Metabolite of Species Details
Malus domestica (NCBI:txid3750) Found in exocarp (BTO:0000733). of strain Malus x domestica Borkh. cv. Ruixue See: MetaboLights Study
ChEBI Ontology
Outgoing 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 Xrefs Databases
35014477 ChemSpider
HMDB0037839 HMDB
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