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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:glucoerucin(1-)
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Accession:CHEBI:5404 term browser browse the term
Definition:A thia-alkylglucosinolate that has a 4-(methylsulfanyl)butyl side chain attached to the sulfonated oxime group.
Synonyms:exact_synonym: 1-S-[(1Z)-5-(methylsulfanyl)-N-(sulfonatooxy)pentanimidoyl]-1-thio-beta-D-glucopyranose
 related_synonym: 4-methylthiobutylglucosinolate;   Formula=C12H22NO9S3;   Glucoerucin;   InChI=1S/C12H23NO9S3/c1-23-5-3-2-4-8(13-22-25(18,19)20)24-12-11(17)10(16)9(15)7(6-14)21-12/h7,9-12,14-17H,2-6H2,1H3,(H,18,19,20)/p-1/b13-8-/t7-,9-,10+,11-,12+/m1/s1;   InChIKey=GKUMMDFLKGFCKH-AHMUMSBHSA-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)/CCCCSC
 xref: Beilstein:3916831;   Beilstein:7727878;   CAS:21973-56-8;   KEGG:C08409
 xref_mesh: MESH:C119493
 xref: PMID:15796582;   PMID:20638746;   PMID:5268204;   Reaxys:3916831;   Reaxys:7727878
 cyclic_relationship: is_conjugate_base_of CHEBI:79325


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glucoerucin(1-) term browser
Symbol Object Name Qualifiers Evidence Notes Source PubMed Reference(s) RGD Reference(s) Position
G Cyp1a1 cytochrome P450, family 1, subfamily a, polypeptide 1 increases expression EXP glucoerucin results in increased expression of CYP1A1 protein CTD PMID:20833222 NCBI chr 8:58,096,021...58,102,130
Ensembl chr 8:58,096,077...58,102,125
JBrowse link
G Cyp1a2 cytochrome P450, family 1, subfamily a, polypeptide 2 increases expression EXP glucoerucin results in increased expression of CYP1A2 protein CTD PMID:20833222 NCBI chr 8:58,075,367...58,082,255
Ensembl chr 8:58,075,367...58,082,312
JBrowse link
G Cyp1b1 cytochrome P450, family 1, subfamily b, polypeptide 1 increases expression EXP glucoerucin results in increased expression of CYP1B1 protein CTD PMID:20833222 NCBI chr 6:15,342,312...15,350,886
Ensembl chr 6:15,342,344...15,350,917
JBrowse link
G Ephx1 epoxide hydrolase 1 increases expression EXP glucoerucin results in increased expression of EPHX1 protein CTD PMID:21132492 NCBI chr13:92,714,315...92,744,124
Ensembl chr13:92,714,315...92,790,235
JBrowse link
G Nqo1 NAD(P)H quinone dehydrogenase 1 increases activity EXP glucoerucin results in increased activity of NQO1 protein CTD PMID:20833222 NCBI chr19:35,295,633...35,310,528
Ensembl chr19:35,295,573...35,310,557
JBrowse link

Term paths to the root
Path 1
Term Annotations click to browse term
  CHEBI ontology 19821
    role 19769
      biological role 19769
        biochemical role 19389
          metabolite 19364
            eukaryotic metabolite 19052
              plant metabolite 17458
                glucosinolate 5
                  alkylglucosinolate 5
                    butylglucosinolate 5
                      glucoerucin(1-) 5
Path 2
Term Annotations click to browse term
  CHEBI ontology 19821
    subatomic particle 19819
      composite particle 19819
        hadron 19819
          baryon 19819
            nucleon 19819
              atomic nucleus 19819
                atom 19819
                  main group element atom 19716
                    p-block element atom 19716
                      chalcogen 19469
                        oxygen atom 19445
                          oxygen molecular entity 19445
                            oxide 11762
                              oxoanion 8899
                                chalcogen oxoanion 540
                                  sulfur oxoanion 539
                                    glycosinolate 5
                                      glucosinolate 5
                                        alkylglucosinolate 5
                                          thia-alkylglucosinolate 5
                                            omega-[(methylsulfanyl)alkyl]glucosinolate 5
                                              glucoerucin(1-) 5
paths to the root