CHEBI:79362 - glucocleomin

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ChEBI Name glucocleomin
ChEBI ID CHEBI:79362
Definition A hydroxy-alkylglucosinolic acid that consists of 1-thio-β-D-glucopyranose attached to a 3-hydroxy-3-methyl-N-(sulfooxy)pentanimidoyl group at the anomeric sulfur.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ZINC000013352621
Download Molfile XML SDF
Formula C12H23NO10S2
Net Charge 0
Average Mass 405.44200
Monoisotopic Mass 405.07634
InChI InChI=1S/C12H23NO10S2/c1-3-12(2,18)4-7(13-23-25(19,20)21)24-11-10(17)9(16)8(15)6(5-14)22-11/h6,8-11,14-18H,3-5H2,1-2H3,(H,19,20,21)/t6-,8-,9+,10-,11+,12?/m1/s1
InChIKey JEOJIKMFKHSAJU-IGHGXYNPSA-N
SMILES CCC(C)(O)CC(S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O)=NOS(O)(=O)=O
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
(via glucosinolic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing glucocleomin (CHEBI:79362) is a hydroxy-alkylglucosinolic acid (CHEBI:79361)
glucocleomin (CHEBI:79362) is conjugate acid of glucocleomin(1−) (CHEBI:5401)
Incoming glucocleomin(1−) (CHEBI:5401) is conjugate base of glucocleomin (CHEBI:79362)
IUPAC Name
1-S-[3-hydroxy-3-methyl-N-(sulfooxy)pentanimidoyl]-1-thio-β-D-glucopyranose
Manual Xrefs Databases
C00001467 KNApSAcK
C08406 KEGG COMPOUND
HMDB0034045 HMDB
View more database links
Registry Number Type Source
1271943 Reaxys Registry Number Reaxys
Citations
Last Modified
23 July 2014