S-[2-[3-[[4-[[[5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethyl] butanethioate

chemical compound

Wikidata entity: Q42412398

C₂₅H₄₂N₇O₁₇P₃S (P274)



Quantities

P2067mass837.157073774

P233 canonical SMILES String C([H])([H])([H])C([H])([H])C([H])([H])C(=O)SC([H])([H])C([H])([H])N([H])C(=O)C([H])([H])C([H])([H])N([H])C(=O)C([H])(C(C([H])([H])[H])(C([H])([H])[H])C([H])([H])OP(=O)(O[H])OP(=O)(O[H])OC([H])([H])C1([H])C([H])(C([H])(C([H])(N2C([H])=NC3=C2N=C([H])N=C3N([H])[H])O1)O[H])OP(=O)(O[H])O[H])O[H] ???
P703 found in taxon ... Q15978631 (Homo sapiens) Homo sapiens
P703 found in taxon ... Q25419 (Escherichia coli) Escherichia coli
P703 found in taxon ... Q22287108 (Streptomyces cinnamonensis) Streptomyces cinnamonensis
P31 instance of ... Q113145171 (type of chemical entity) type of chemical entity
P279 subclass of ... Q11173 (chemical compound) chemical compound

External Ids
P661ChemSpider ID260
P3117DSSTox substance IDDTXSID70862839
P2057Human Metabolome Database IDHMDB0001088
P234InChIInChI=1S/C25H42N7O17P3S/c1-4-5-16(34)53-9-8-27-15(33)6-7-28-23(37)20(36)25(2,3)11-46-52(43,44)49-51(41,42)45-10-14-19(48-50(38,39)40)18(35)24(47-14)32-13-31-17-21(26)29-12-30-22(17)32/h12-14,18-20,24,35-36H,4-11H2,1-3H3,(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)
P235InChIKeyCRFNGMNYKDXRTN-UHFFFAOYSA-N
P6689MassBank accession IDMSBNK-RIKEN_ReSpect-PS030501
P6689MassBank accession IDMSBNK-RIKEN_ReSpect-PS030502
P6689MassBank accession IDMSBNK-RIKEN_ReSpect-PS030503
P6689MassBank accession IDMSBNK-RIKEN_ReSpect-PS030504
P6689MassBank accession IDMSBNK-RIKEN_ReSpect-PS030505
P6689MassBank accession IDMSBNK-RIKEN_ReSpect-PS030506
P6689MassBank accession IDMSBNK-RIKEN_ReSpect-PS030507
P6689MassBank accession IDMSBNK-RIKEN_ReSpect-PS030508
P6689MassBank accession IDMSBNK-RIKEN_ReSpect-PS030509
P6689MassBank accession IDMSBNK-RIKEN_ReSpect-PS030510
P662PubChem CID265
P2877SureChEMBL ID4367366
P11089UniChem compound ID32002884

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