CHEBI:81002 - Glucosisymbrin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Glucosisymbrin
ChEBI ID CHEBI:81002
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C10H19NO10S2
Net Charge 0
Average Mass 377.38900
Monoisotopic Mass 377.04504
InChI InChI=1S/C10H19NO10S2/c1-4(2-12)9(11-21-23(17,18)19)22-10-8(16)7(15)6(14)5(3-13)20-10/h4-8,10,12-16H,2-3H2,1H3,(H,17,18,19)/t4?,5-,6-,7+,8-,10+/m1/s1
InChIKey WMJAKSMGNADDKY-QTCACZPWSA-N
SMILES CC(CO)C(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 Glucosisymbrin (CHEBI:81002) is a glucosinolic acid (CHEBI:79316)
Synonym Source
1-Methyl-2-hydroxyetyl glucosinolate KEGG COMPOUND
Manual Xref Database
C17275 KEGG COMPOUND
View more database links
Last Modified
07 March 2024