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CHEBI:224467 - 4-amino-4,6-dideoxyglucose-alanopine

ChEBI IDCHEBI:224467
ChEBI Name4-amino-4,6-dideoxyglucose-alanopine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H22N2O7
Net Charge0
Average Mass306.315
Monoisotopic Mass306.14270
SMILESCC(NC(C)C(=O)NC1C(C)OC(O)C(O)C1O)C(=O)O
WURCSWURCS=2.0/1,1,0/[axxxxm-1x_1-5_4*NCC^XNC^XCO/7=O/6C/4C/3=O]/1/
InChIInChI=1S/C12H22N2O7/c1-4(13-5(2)11(18)19)10(17)14-7-6(3)21-12(20)9(16)8(7)15/h4-9,12-13,15-16,20H,1-3H3,(H,14,17)(H,18,19)
InChIKeyQNGGNVKANRAMMF-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Providencia (ncbitaxon:586) - PubMed (19651402)
ChEBI Ontology
Outgoing Relation(s)
4-amino-4,6-dideoxyglucose-alanopine (CHEBI:224467) is a hexose (CHEBI:18133)
IUPAC Name 
2-[[1-oxo-1-[(4,5,6-trihydroxy-2-methyloxan-3-yl)amino]propan-2-yl]amino]propanoic acid
Manual XrefsDatabases
78444577ChemSpider