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CHEBI:195678 - glutathionyl-3-hydroxykynurenine glucoside

ChEBI IDCHEBI:195678
ChEBI Nameglutathionyl-3-hydroxykynurenine glucoside
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC26H36N4O15S
Net Charge0
Average Mass676.654
Monoisotopic Mass676.18979
SMILESNc1c(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cccc1C(=O)C[C@H](SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O)C(=O)O
InChIInChI=1S/C26H36N4O15S/c27-11(24(40)41)4-5-17(33)30-12(23(39)29-7-18(34)35)9-46-16(25(42)43)6-13(32)10-2-1-3-14(19(10)28)44-26-22(38)21(37)20(36)15(8-31)45-26/h1-3,11-12,15-16,20-22,26,31,36-38H,4-9,27-28H2,(H,29,39)(H,30,33)(H,34,35)(H,40,41)(H,42,43)/t11-,12-,15+,16-,20+,21-,22+,26+/m0/s1
InChIKeyMUWBOANXAOJPLO-ROWCEFMGSA-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)
glutathionyl-3-hydroxykynurenine glucoside (CHEBI:195678) is a peptide (CHEBI:16670)
IUPAC Name 
(2S)-2-amino-5-[[(2R)-3-[(1S)-3-[2-amino-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1-carboxy-3-oxopropyl]sulanyl-1-(carboxymethylamino)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
Manual XrefsDatabases
128430749ChemSpider
HMDB0062471HMDB