CHEBI:79329 - glucocochlearin

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ChEBI Name glucocochlearin
ChEBI ID CHEBI:79329
Definition An alkylglucosinolic acid that consists of 1-thio-β-D-glucopyranose attached to a 2-methyl-N-(sulfooxy)butanimidoyl group at the anomeric sulfur.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C11H21NO9S2
Net Charge 0
Average Mass 375.418
Monoisotopic Mass 375.06577
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)/b12-10-/t5?,6-,7-,8+,9-,11+/m1/s1
InChIKey TUSWQPFNQXCPGB-ANPCENJRSA-N
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 glucosinolic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing glucocochlearin (CHEBI:79329) is a alkylglucosinolic acid (CHEBI:79327)
glucocochlearin (CHEBI:79329) is conjugate acid of glucocochlearin(1−) (CHEBI:5402)
Incoming glucocochlearin(1−) (CHEBI:5402) is conjugate base of glucocochlearin (CHEBI:79329)
IUPAC Name
1-S-[(1Z)-2-methyl-N-(sulfooxy)butanimidoyl]-1-thio-β-D-glucopyranose
Manual Xrefs Databases
C00001468 KNApSAcK
C08407 KEGG COMPOUND
View more database links
Registry Number Type Source
8935270 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
16764844 PubMed citation Europe PMC
22162169 PubMed citation Europe PMC
22779710 PubMed citation Europe PMC
Last Modified
11 March 2016