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CHEBI:189717 - sulforaphane-glutathione

ChEBI IDCHEBI:189717
ChEBI Namesulforaphane-glutathione
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SubmitterMetaboLights
DownloadsMolfile
FormulaC16H28N4O7S3
Net Charge0
Average Mass484.622
Monoisotopic Mass484.11201
SMILESCS(=O)CCCCNC(=S)SC[C@H](NC(=O)CC[C@H](N)C(=O)O)C(=O)NCC(=O)O
InChIInChI=1S/C16H28N4O7S3/c1-30(27)7-3-2-6-18-16(28)29-9-11(14(24)19-8-13(22)23)20-12(21)5-4-10(17)15(25)26/h10-11H,2-9,17H2,1H3,(H,18,28)(H,19,24)(H,20,21)(H,22,23)(H,25,26)/t10-,11-,30?/m0/s1
InChIKeyROARKYNVUQLTDP-QGQIPBJJSA-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)
sulforaphane-glutathione (CHEBI:189717) is a oligopeptide (CHEBI:25676)
IUPAC Name 
(2S)-2-amino-5-[[(2R)-1-(carboxymethylamino)-3-(4-methylsulinylbutylcarbamothioylsulanyl)-1-oxopropan-2-yl]amino]-5-oxopentanoic acid
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23937193ChemSpider