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CHEBI:181995 - N-Fructosyl alliin-H2O

ChEBI IDCHEBI:181995
ChEBI NameN-Fructosyl alliin-H2O
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC12H19NO7S
Net Charge0
Average Mass321.351
Monoisotopic Mass321.08822
SMILESC/C=C/S(=O)CC(N/C=C1/OCC(O)C(O)C1O)C(=O)O
InChIInChI=1S/C12H19NO7S/c1-2-3-21(19)6-7(12(17)18)13-4-9-11(16)10(15)8(14)5-20-9/h2-4,7-8,10-11,13-16H,5-6H2,1H3,(H,17,18)/b3-2+,9-4+
InChIKeyOQAFURZDHYCZMF-DSXPNFDZSA-N
Roles Classification
Chemical Roles:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
N-Fructosyl alliin-H2O (CHEBI:181995) is a α-amino acid (CHEBI:33704)
IUPAC Name 
3-[(E)-prop-1-enyl]sulinyl-2-[[(E)-(3,4,5-trihydroxyoxan-2-ylidene)methyl]amino]propanoic acid