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CHEBI:466659 - 1-O-(α-D-galactosyl)-N-hexacosanoylphytosphingosine
| Formula | C50H99NO9 |
| Net Charge | 0 |
| Average Mass | 858.340 |
| Monoisotopic Mass | 857.73198 |
| SMILES | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](CO[C@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)CCCCCCCCCCCCCC |
| InChI | InChI=1S/C50H99NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-45(54)51-42(41-59-50-49(58)48(57)47(56)44(40-52)60-50)46(55)43(53)38-36-34-32-30-28-16-14-12-10-8-6-4-2/h42-44,46-50,52-53,55-58H,3-41H2,1-2H3,(H,51,54)/t42-,43+,44+,46-,47-,48-,49+,50-/m0/s1 |
| InChIKey | VQFKFAKEUMHBLV-BYSUZVQFSA-N |
| Roles Classification |
|---|
| Biological Roles: | antigen Any substance that stimulates an immune response in the body, such as through antibody production or by presentation to a T-cell receptor after binding to a major histocompability complex (MHC). allergen A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy. 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. epitope The biological role played by a material entity when bound by a receptor of the adaptive immune system. Specific site on an antigen to which an antibody binds. mouse metabolite Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus). |
| Applications: | antineoplastic agent A substance that inhibits or prevents the proliferation of neoplasms. 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) |
| 1-O-(α-D-galactosyl)-N-hexacosanoylphytosphingosine (CHEBI:466659) has functional parent α-D-galactose (CHEBI:28061) |
| 1-O-(α-D-galactosyl)-N-hexacosanoylphytosphingosine (CHEBI:466659) has role allergen (CHEBI:50904) |
| 1-O-(α-D-galactosyl)-N-hexacosanoylphytosphingosine (CHEBI:466659) has role antigen (CHEBI:59132) |
| 1-O-(α-D-galactosyl)-N-hexacosanoylphytosphingosine (CHEBI:466659) has role antineoplastic agent (CHEBI:35610) |
| 1-O-(α-D-galactosyl)-N-hexacosanoylphytosphingosine (CHEBI:466659) has role epitope (CHEBI:53000) |
| 1-O-(α-D-galactosyl)-N-hexacosanoylphytosphingosine (CHEBI:466659) has role immunological adjuvant (CHEBI:50847) |
| 1-O-(α-D-galactosyl)-N-hexacosanoylphytosphingosine (CHEBI:466659) is a N-acyl-β-D-galactosylphytosphingosine (CHEBI:157775) |
| 1-O-(α-D-galactosyl)-N-hexacosanoylphytosphingosine (CHEBI:466659) is a glycophytoceramide (CHEBI:59389) |
| Incoming Relation(s) |
| N-[(2S,3S,4R)-1-(α-D-galactosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanethioamide (CHEBI:86510) has functional parent 1-O-(α-D-galactosyl)-N-hexacosanoylphytosphingosine (CHEBI:466659) |
| IUPAC Name |
|---|
| N-[(2S,3S,4R)-1-(α-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]hexacosanamide |
| Synonyms | Source |
|---|---|
| 1-O-(α-D-galactopyranosyl)-N-hexacosanoylphytosphingosine | ChEBI |
| (2S,3S,4R)-1-O-(α-D-galactosyl)-N-hexacosanoyl-2-amino-1,3,4-octadecanetriol | ChEBI |
| Galα-Cer(t18:0/26:0) | ChEBI |
| KRN 7000 | ChemIDplus |
| α-GalCer | ChEBI |
| α-GalCer(t18:0/26:0) | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7326597 | Reaxys |
| CAS:158021-47-7 | ChemIDplus |
| Citations |
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