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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:tomatine
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Accession:CHEBI:9630 term browser browse the term
Definition:A steroid alkaloid that is tomatidine in which the hydroxy group at position 3 is linked to lycotetraose, a tetrasaccharide composed of two units of D-glucose, one unit of D-xylose, and one unit of D-galactose.
Synonyms:exact_synonym: (22S,25S)-5alpha-spirosolan-3beta-yl beta-D-glucopyranosyl-(1->2)-[beta-D-xylopyranosyl-(1->3)]-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside
 related_synonym: (3beta,5alpha,22beta,25S)-spirosolan-3-yl O-beta-D-glucopyranosyl-(1->2)-O-(beta-D-xylopyranosyl)-(1->3)-O-beta-D-glucopyranosyl-(1->4)-beta-D-galactopyranoside;   A''-Tomatidine;   Formula=C50H83NO21;   InChI=1S/C50H83NO21/c1-20-7-12-50(51-15-20)21(2)32-28(72-50)14-26-24-6-5-22-13-23(8-10-48(22,3)25(24)9-11-49(26,32)4)65-45-40(63)37(60)41(31(18-54)68-45)69-47-43(71-46-39(62)36(59)34(57)29(16-52)66-46)42(35(58)30(17-53)67-47)70-44-38(61)33(56)27(55)19-64-44/h20-47,51-63H,5-19H2,1-4H3/t20-,21-,22-,23-,24+,25-,26-,27+,28-,29+,30+,31+,32-,33-,34+,35+,36-,37+,38+,39+,40+,41-,42-,43+,44-,45+,46-,47-,48-,49-,50-/m0/s1;   InChIKey=REJLGAUYTKNVJM-SGXCCWNXSA-N;   SMILES=[H][C@@]12CC[C@]3([H])[C@]([H])(CC[C@@]4(C)[C@@]3([H])C[C@]3([H])O[C@@]5(CC[C@H](C)CN5)[C@@H](C)[C@]43[H])[C@@]1(C)CC[C@@H](C2)O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O[C@@H]3OC[C@@H](O)[C@H](O)[C@H]3O)[C@H]2O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O;   Tomatin;   alpha-tomatine;   lycopersicin
 xref: Beilstein:78250;   CAS:17406-45-0;   HMDB:HMDB0034103;   KEGG:C10827;   KNApSAcK:C00002268;   LIPID_MAPS_instance:LMST01150015;   PMID:17585910;   PMID:17979099;   PMID:19457446;   PMID:19514731;   PMID:20300588;   PMID:21264526;   PMID:21541327;   PMID:23448507;   PMID:25772114;   Reaxys:78250;   Wikipedia:Tomatine



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Path 1
Term Annotations click to browse term
  CHEBI ontology 5059
    role 5022
      biological role 5022
        antimicrobial agent 259
          antifungal agent 112
            tomatine 0
              5,6-dehydrotomatine 0
Path 2
Term Annotations click to browse term
  CHEBI ontology 5059
    subatomic particle 5050
      composite particle 5050
        hadron 5050
          baryon 5050
            nucleon 5050
              atomic nucleus 5050
                atom 5050
                  main group element atom 5017
                    p-block element atom 5014
                      carbon group element atom 4932
                        carbon atom 4931
                          organic molecular entity 4931
                            heteroorganic entity 4770
                              organochalcogen compound 4732
                                organooxygen compound 4693
                                  carbohydrates and carbohydrate derivatives 125
                                    carbohydrate 125
                                      carbohydrate derivative 114
                                        glycosyl compound 45
                                          glycoside 20
                                            glycoalkaloid 0
                                              tomatine 0
                                                5,6-dehydrotomatine 0
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