CHEBI:9151 - Sinalbin

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name Sinalbin
ChEBI ID CHEBI:9151
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C14H18NO10S2
Net Charge 0
Average Mass 425.434
Monoisotopic Mass 425.04504
InChI InChI=1S/C14H19NO10S2/c16-6-9-11(18)12(19)13(20)14(24-9)26-10(15-25-27(21,22)23)5-7-1-3-8(17)4-2-7/h1-4,9,11-14,16-20H,5-6H2,(H,21,22,23)/t9-,11-,12+,13-,14+/m1/s1
InChIKey WWBNBPSEKLOHJU-LPUQOGTASA-N
SMILES OC[C@H]1O[C@@H](SC(Cc2ccc(O)cc2)=NOS(O)(=O)=O)[C@H](O)[C@@H](O)[C@@H]1O
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 Sinalbin (CHEBI:9151) is a glucosinolate (CHEBI:24279)
Synonyms Sources
p-Hydroxybenzyl glucosinolate KEGG COMPOUND
Sinalbin KEGG COMPOUND
Manual Xrefs Databases
C00001487 KNApSAcK
C08426 KEGG COMPOUND
View more database links
Registry Number Type Source
20196-67-2 CAS Registry Number KEGG COMPOUND
Last Modified
28 July 2014