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03. Biological Effects of Specific Chemicals
03. Biological Effects of Specific Chemicals
tomatine [CHEBI:9630] (1)
tomatine [CHEBI:9630] (1)
tomatine [CHEBI:9630] (1)
08. Chemical Category
08. Chemical Category
tomatine [CHEBI:9630] (1)
tomatine [CHEBI:9630] (1)
tomatine [CHEBI:9630] (1)
tomatine [CHEBI:9630] (1)
tomatine [CHEBI:9630] (1)
tomatine [CHEBI:9630] (1)
tomatine [CHEBI:9630] (1)
tomatine [CHEBI:9630] (1)
tomatine [CHEBI:9630] (1)
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