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CHEBI:181577 - N-Fructosyl gamma-glutamyl-S-(1-propenyl)cysteine sulfoxide

ChEBI IDCHEBI:181577
ChEBI NameN-Fructosyl gamma-glutamyl-S-(1-propenyl)cysteine sulfoxide
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SubmitterMetaboLights
DownloadsMolfile
FormulaC17H28N2O11S
Net Charge0
Average Mass468.481
Monoisotopic Mass468.14138
SMILESC/C=C/S(=O)CC(NC(=O)CCC(NCC1(O)OCC(O)C(O)C1O)C(=O)O)C(=O)O
InChIInChI=1S/C17H28N2O11S/c1-2-5-31(29)7-10(16(26)27)19-12(21)4-3-9(15(24)25)18-8-17(28)14(23)13(22)11(20)6-30-17/h2,5,9-11,13-14,18,20,22-23,28H,3-4,6-8H2,1H3,(H,19,21)(H,24,25)(H,26,27)/b5-2+
InChIKeyWROKSUMDFCBDIW-GORDUTHDSA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
N-Fructosyl gamma-glutamyl-S-(1-propenyl)cysteine sulfoxide (CHEBI:181577) is a dipeptide (CHEBI:46761)
IUPAC Name 
5-[[1-carboxy-2-[(E)-prop-1-enyl]sulinylethyl]amino]-5-oxo-2-[(2,3,4,5-tetrahydroxyoxan-2-yl)methylamino]pentanoic acid