CHEBI:5402 - glucocochlearin(1−)

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name glucocochlearin(1−)
ChEBI ID CHEBI:5402
ChEBI ASCII Name glucocochlearin(1-)
Definition An alkylglucosinolate that is the conjugate base of glucocochlearin.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C11H20NO9S2
Net Charge -1
Average Mass 374.410
Monoisotopic Mass 374.05850
InChI InChI=1S/C11H21NO9S2/c1-3-5(2)10(12-21-23(17,18)19)22-11-9(16)8(15)7(14)6(4-13)20-11/h5-9,11,13-16H,3-4H2,1-2H3,(H,17,18,19)/p-1/b12-10-/t5?,6-,7-,8+,9-,11+/m1/s1
InChIKey TUSWQPFNQXCPGB-ANPCENJRSA-M
SMILES [C@H]1(O[C@@H]([C@@H](O)[C@@H]([C@H]1O)O)CO)S/C(=N\OS([O-])(=O)=O)/C(CC)C
Metabolite of Species Details
Armoracia rusticana (NCBI:txid3704) See: PubMed
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 glucosinolate )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing glucocochlearin(1−) (CHEBI:5402) is a alkylglucosinolate (CHEBI:36445)
glucocochlearin(1−) (CHEBI:5402) is conjugate base of glucocochlearin (CHEBI:79329)
Incoming glucocochlearin (CHEBI:79329) is conjugate acid of glucocochlearin(1−) (CHEBI:5402)
IUPAC Name
1-S-[(1Z)-2-methyl-N-(sulfonatooxy)butanimidoyl]-1-thio-β-D-glucopyranose
Synonyms Sources
1-Methylpropyl glucosinolate KEGG COMPOUND
1-methylpropylglucosinolate ChEBI
Glucocochlearin KEGG COMPOUND
sec-butylglucosinolate ChEBI
Manual Xrefs Databases
C00001468 KNApSAcK
C08407 KEGG COMPOUND
View more database links
Registry Number Type Source
499-24-1 CAS Registry Number KEGG COMPOUND
Last Modified
11 March 2016