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CHEBI:9630 - tomatine
| Formula | C50H83NO21 |
| Net Charge | 0 |
| Average Mass | 1034.200 |
| Monoisotopic Mass | 1033.54576 |
| 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](O[C@@H]1O[C@H](CO)[C@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O[C@@H]4OC[C@@H](O)[C@H](O)[C@H]4O)[C@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H]1O)C2 |
| InChI | 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 |
| Wikipedia |
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| Roles Classification |
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| Biological Roles: | immunological adjuvant A substance that augments, stimulates, activates, potentiates, or modulates the immune response at either the cellular or humoral level. A classical agent (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contains bacterial antigens. It could also be endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Its mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy is related to its antigen-specific immunoadjuvanticity. antifungal agent An antimicrobial agent that destroys fungi by suppressing their ability to grow or reproduce. phytotoxin Any toxin produced by a plant. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. antimicrobial agent A substance that kills or slows the growth of microorganisms, including bacteria, viruses, fungi and protozoans. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. metabolite Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites. |
| Application: | immunological adjuvant A substance that augments, stimulates, activates, potentiates, or modulates the immune response at either the cellular or humoral level. A classical agent (Freund's adjuvant, BCG, Corynebacterium parvum, et al.) contains bacterial antigens. It could also be endogenous (e.g., histamine, interferon, transfer factor, tuftsin, interleukin-1). Its mode of action is either non-specific, resulting in increased immune responsiveness to a wide variety of antigens, or antigen-specific, i.e., affecting a restricted type of immune response to a narrow group of antigens. The therapeutic efficacy is related to its antigen-specific immunoadjuvanticity. |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| tomatine (CHEBI:9630) has functional parent tomatidine (CHEBI:9629) |
| tomatine (CHEBI:9630) has role antifungal agent (CHEBI:35718) |
| tomatine (CHEBI:9630) has role immunological adjuvant (CHEBI:50847) |
| tomatine (CHEBI:9630) has role phytotoxin (CHEBI:38231) |
| tomatine (CHEBI:9630) is a alkaloid antibiotic (CHEBI:86322) |
| tomatine (CHEBI:9630) is a glycoalkaloid (CHEBI:195215) |
| tomatine (CHEBI:9630) is a glycoside (CHEBI:24400) |
| tomatine (CHEBI:9630) is a steroid alkaloid (CHEBI:26767) |
| tomatine (CHEBI:9630) is a tetrasaccharide derivative (CHEBI:63567) |
| Incoming Relation(s) |
| 5,6-dehydrotomatine (CHEBI:131494) has functional parent tomatine (CHEBI:9630) |
| IUPAC Name |
|---|
| (22S,25S)-5α-spirosolan-3β-yl β-D-glucopyranosyl-(1→2)-[β-D-xylopyranosyl-(1→3)]-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside |
| Synonyms | Source |
|---|---|
| Tomatine | KEGG COMPOUND |
| A''-Tomatidine | ChemIDplus |
| lycopersicin | ChemIDplus |
| α-tomatine | ChemIDplus |
| (3β,5α,22β,25S)-spirosolan-3-yl O-β-D-glucopyranosyl-(1→2)-O-(β-D-xylopyranosyl)-(1→3)-O-β-D-glucopyranosyl-(1→4)-β-D-galactopyranoside | ChemIDplus |
| Tomatin | HMDB |
| Manual Xrefs | Databases |
|---|---|
| C10827 | KEGG COMPOUND |
| LMST01150015 | LIPID MAPS |
| C00002268 | KNApSAcK |
| HMDB0034103 | HMDB |
| Tomatine | Wikipedia |
| Registry Numbers | Sources |
|---|---|
| Reaxys:78250 | Reaxys |
| CAS:17406-45-0 | KEGG COMPOUND |
| CAS:17406-45-0 | ChemIDplus |
| Citations |
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