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tomatine
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.


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03. Biological Effects of Specific Chemicals: biochemical uses [CHEBI:52206]
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03. Biological Effects of Specific Chemicals 
03. Biological Effects of Specific Chemicals
 biochemical uses [CHEBI:52206] (3306) 
 metabolite [CHEBI:25212] (2692) 
 secondary metabolite [CHEBI:26619] (2225) 
 toxin [CHEBI:27026] (45) 
 phytotoxin [CHEBI:38231] (17) 
 tomatine [CHEBI:9630] (1)
 antimicrobial agent [CHEBI:33281] (927) 
 fungicide [CHEBI:24127] (52) 
 tomatine [CHEBI:9630] (1)
 immunomodulator [CHEBI:50846] (61) 
 immunological adjuvant [CHEBI:50847] (9) 
 tomatine [CHEBI:9630] (1)
08. Chemical Category 
08. Chemical Category
 main group molecular entity [CHEBI:33579] (25650) 
 p-block molecular entity [CHEBI:33675] (25343) 
 pnictogen molecular entity [CHEBI:33302] (10027) 
 nitrogen molecular entity [CHEBI:51143] (7930) 
 organonitrogen compound [CHEBI:35352] (6705) 
 alkaloid [CHEBI:22315] (473) 
 steroid alkaloid [CHEBI:26767] (11) 
 tomatine [CHEBI:9630] (1)
 chalcogen molecular entity [CHEBI:33304] (15225) 
 oxygen molecular entity [CHEBI:25806] (14414) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbohydrate derivative [CHEBI:63299] (2582) 
 oligosaccharide derivative [CHEBI:63563] (804) 
 tetrasaccharide derivative [CHEBI:63567] (136) 
 tomatine [CHEBI:9630] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbohydrate derivative [CHEBI:63299] (2582) 
 oligosaccharide derivative [CHEBI:63563] (804) 
 tetrasaccharide derivative [CHEBI:63567] (136) 
 tomatine [CHEBI:9630] (1)
 carbon group molecular entity [CHEBI:33582] (23847) 
 organic molecular entity [CHEBI:50860] (23769) 
 lipid [CHEBI:18059] (3532) 
 steroid [CHEBI:35341] (716) 
 steroid alkaloid [CHEBI:26767] (11) 
 tomatine [CHEBI:9630] (1)
 heteroorganic entity [CHEBI:33285] (15197) 
 organonitrogen compound [CHEBI:35352] (6705) 
 alkaloid [CHEBI:22315] (473) 
 steroid alkaloid [CHEBI:26767] (11) 
 tomatine [CHEBI:9630] (1)
 organochalcogen compound [CHEBI:36962] (11874) 
 organooxygen compound [CHEBI:36963] (11352) 
 carbohydrate derivative [CHEBI:63299] (2582) 
 oligosaccharide derivative [CHEBI:63563] (804) 
 tetrasaccharide derivative [CHEBI:63567] (136) 
 tomatine [CHEBI:9630] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 steroid [CHEBI:35341] (716) 
 steroid alkaloid [CHEBI:26767] (11) 
 tomatine [CHEBI:9630] (1)
 polyatomic entity [CHEBI:36357] (18777) 
 molecule [CHEBI:25367] (11520) 
 cyclic compound [CHEBI:33595] (7817) 
 polycyclic compound [CHEBI:33635] (4078) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 steroid [CHEBI:35341] (716) 
 steroid alkaloid [CHEBI:26767] (11) 
 tomatine [CHEBI:9630] (1)
 organic cyclic compound [CHEBI:33832] (7633) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 steroid [CHEBI:35341] (716) 
 steroid alkaloid [CHEBI:26767] (11) 
 tomatine [CHEBI:9630] (1)
 organic molecule [CHEBI:72695] (11399) 
 organic cyclic compound [CHEBI:33832] (7633) 
 organic polycyclic compound [CHEBI:51958] (1654) 
 steroid [CHEBI:35341] (716) 
 steroid alkaloid [CHEBI:26767] (11) 
 tomatine [CHEBI:9630] (1)
ChEBI Compound Accession Identifier  [CHEBI:9630]
ChEBI Compound Description  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.
ChEBI Compound Identification Number  9630
ChEBI InChI Value  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
ChEBI InChIKey Value  REJLGAUYTKNVJM-SGXCCWNXSA-N
ChEBI Compound Name  tomatine
ChEBI SMILES Value  [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
ChEBI Substance ID  11534175
ChEBI URL  ChEBI:9630
ChemSpider ID  26536
Ontomatica Chemical Accession Key (OnChAKey)  REJLGAUYTKNVJM_SGXCCWNXSA_N_000_000000
PubChem Compound ID  28523