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CHEBI:79362 - glucocleomin

ChEBI IDCHEBI:79362
ChEBI Nameglucocleomin
Stars
DefinitionA 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.
Last Modified23 July 2014
Submitternamrata
DownloadsMolfile
FormulaC12H23NO10S2
Net Charge0
Average Mass405.447
Monoisotopic Mass405.07634
SMILESCCC(C)(O)CC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=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
InChIKeyJEOJIKMFKHSAJU-IGHGXYNPSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
glucocleomin (CHEBI:79362) is a hydroxy-alkylglucosinolic acid (CHEBI:79361)
glucocleomin (CHEBI:79362) is conjugate acid of glucocleomin(1−) (CHEBI:5401)
Incoming Relation(s)
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 XrefsDatabases
C08406KEGG COMPOUND
C00001467KNApSAcK
HMDB0034045HMDB
Registry NumbersSources
Reaxys:1271943Reaxys
Citations