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CHEBI:221656 - Hexose-shinorine

ChEBI IDCHEBI:221656
ChEBI NameHexose-shinorine
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC19H30N2O13
Net Charge0
Average Mass494.450
Monoisotopic Mass494.17479
SMILESCOC1=C(NC(CO)C(=O)O)CC(O)(CO)CC1=NCC(=O)OC1C(CO)OC(O)C(O)C1O
InChIInChI=1S/C19H30N2O13/c1-32-15-8(2-19(31,7-24)3-9(15)21-10(5-22)17(28)29)20-4-12(25)34-16-11(6-23)33-18(30)14(27)13(16)26/h10-11,13-14,16,18,21-24,26-27,30-31H,2-7H2,1H3,(H,28,29)
InChIKeyRUEKEQPTPAGXDH-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Heteroscytonema crispum (ncbitaxon:439476) - PubMed (16343324)
ChEBI Ontology
Outgoing Relation(s)
Hexose-shinorine (CHEBI:221656) is a α-amino acid ester (CHEBI:46874)
IUPAC Name 
3-hydroxy-2-[[5-hydroxy-5-(hydroxymethyl)-2-methoxy-3-[2-oxo-2-[4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyethyl]iminocyclohexen-1-yl]amino]propanoic acid