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CHEBI:79349 - gluconapoleiferin

ChEBI IDCHEBI:79349
ChEBI Namegluconapoleiferin
Stars
DefinitionA hydroxy-alkenylglucosinolic acid that consists of 1-thio-β-D-glucopyranose attached to a 4-hydroxy-6-[(sulfooxy)imino]hex-1-en-6-yl group at the anomeric sulfur.
Last Modified11 November 2014
Submitternamrata
DownloadsMolfile
FormulaC12H21NO10S2
Net Charge0
Average Mass403.431
Monoisotopic Mass403.06069
SMILESC=CCC(O)CC(=NOS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C12H21NO10S2/c1-2-3-6(15)4-8(13-23-25(19,20)21)24-12-11(18)10(17)9(16)7(5-14)22-12/h2,6-7,9-12,14-18H,1,3-5H2,(H,19,20,21)/t6?,7-,9-,10+,11-,12+/m1/s1
InChIKeyZEGLQSKFSKZGRO-IAYUFQOSSA-N
Species of MetaboliteComponentSourceComments
Brassica oleracea (ncbitaxon:3712) - PubMed (24014097)
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)
gluconapoleiferin (CHEBI:79349) has functional parent glucobrassicanapin (CHEBI:79318)
gluconapoleiferin (CHEBI:79349) is a hydroxy-alkenylglucosinolic acid (CHEBI:79348)
gluconapoleiferin (CHEBI:79349) is a secondary alcohol (CHEBI:35681)
gluconapoleiferin (CHEBI:79349) is conjugate acid of gluconapoleiferin(1−) (CHEBI:5412)
Incoming Relation(s)
gluconapoleiferin(1−) (CHEBI:5412) is conjugate base of gluconapoleiferin (CHEBI:79349)
IUPAC Name 
1-S-[3-hydroxy-N-(sulfooxy)hex-5-enimidoyl]-1-thio-β-S-glucopyranose
Synonym  Source
2-Hydroxy-4-pentenyl glucosinolateKEGG COMPOUND
Manual XrefsDatabases
C08416KEGG COMPOUND
C00001477KNApSAcK
Registry NumbersSources
Reaxys:8166838Reaxys
CAS:19764-03-5ChemIDplus
CAS:19764-03-5KEGG COMPOUND
Citations