CHEBI ONTOLOGY - ANNOTATIONS
The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/ . The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/ ). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term: [(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] N-sulfooxybut-3-enimidothioate
Accession: CHEBI:181353
browse the term
Synonyms: exact_synonym: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] N-sulooxybut-3-enimidothioate
related_synonym: Formula=C10H17NO9S2; InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/t5-,7-,8+,9-,10+/m1/s1; InChIKey=PHZOWSSBXJXFOR-HOQQJHGQSA-N; SMILES=S([C@@H]1O[C@@H]([C@@H](O)[C@H](O)[C@H]1O)CO)C(=NOS(O)(=O)=O)CC=C
xref: Chemspider:2005926; KEGG:C08427
Term paths to the root one shortest all shortest one longest all longest one shortest and longest all
Path 1
CHEBI ontology
19832
role
19808
biological role
19806
biochemical role
19517
metabolite
19504
eukaryotic metabolite
19321
plant metabolite
17962
glucosinolate
5
alkylglucosinolate
5
[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] N-sulfooxybut-3-enimidothioate
0
Path 2
CHEBI ontology
19832
subatomic particle
19830
composite particle
19830
hadron
19830
baryon
19830
nucleon
19830
atomic nucleus
19830
atom
19830
main group element atom
19780
p-block element atom
19780
chalcogen
19535
oxygen atom
19510
oxygen molecular entity
19510
oxide
12759
oxoanion
10305
chalcogen oxoanion
659
sulfur oxoanion
657
glycosinolate
5
glucosinolate
5
alkylglucosinolate
5
[(2S,3R,4S,5S,6R)-3,4,5-Trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl] N-sulfooxybut-3-enimidothioate
0