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

Main

ChEBI Ontology

Automatic Xrefs

Reactions

Pathways

Models

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)valine

ChEBI ID	CHEBI:167955

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C11H21NO7

Net Charge

Average Mass

279.289

Monoisotopic Mass

279.13180

InChI

InChI=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

InChIKey

OANCGDPJMNPBDV-BUFOXMIFSA-N

SMILES

O1C(O)([C@@H](O)[C@H](O)[C@H]1CO)CN[C@@H](C(C)C)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)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