CHEBI:189716 - sulforaphane-cysteine-glycine

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name sulforaphane-cysteine-glycine
ChEBI ID CHEBI:189716
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C11H21N3O4S3
Net Charge 0
Average Mass 355.490
Monoisotopic Mass 355.06942
InChI InChI=1S/C11H21N3O4S3/c1-21(18)5-3-2-4-13-11(19)20-7-8(12)10(17)14-6-9(15)16/h8H,2-7,12H2,1H3,(H,13,19)(H,14,17)(H,15,16)
InChIKey XXNFGCPBPYXDGU-UHFFFAOYSA-N
SMILES S(=O)(CCCCNC(SCC(N)C(=O)NCC(O)=O)=S)C
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing sulforaphane-cysteine-glycine (CHEBI:189716) is a dipeptide (CHEBI:46761)
IUPAC Name
2-[[2-amino-3-(4-methylsulinylbutylcarbamothioylsulanyl)propanoyl]amino]acetic acid
Manual Xref Database
114810568 ChemSpider
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