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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). 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. 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. 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 |
|---|---|
| KRN 7000 | ChemIDplus |
| (2S,3S,4R)-1-O-(α-D-galactosyl)-N-hexacosanoyl-2-amino-1,3,4-octadecanetriol | ChEBI |
| α-GalCer | ChEBI |
| Galα-Cer(t18:0/26:0) | ChEBI |
| 1-O-(α-D-galactopyranosyl)-N-hexacosanoylphytosphingosine | ChEBI |
| α-GalCer(t18:0/26:0) | ChEBI |
| Registry Numbers | Sources |
|---|---|
| Reaxys:7326597 | Reaxys |
| CAS:158021-47-7 | ChemIDplus |
| Citations |
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