Biotin-36-dc7ATP
[CAS# 147958-08-5]

Identification

• Name: Biotin-36-dc7ATP
• Synonyms: [5-[4-Amino-5-[3-[2-[2-[2-[2-[2-[2-[6-[6-[5-(2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)Pentanoylamino]Hexanoylamino]Hexanoylamino]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Prop-1-Ynyl]Pyrrolo[2,3-D]Pyrimidin-7-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate; [5-[4-Amino-5-[3-[2-[2-[2-[2-[2-[2-[[1-Oxo-6-[[1-Oxo-6-[[1-Oxo-5-(2-Oxo-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)Pentyl]Amino]Hexyl]Amino]Hexyl]Amino]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Prop-1-Ynyl]-7-Pyrrolo[2,3-D]Pyrimidinyl]-3-Hydroxy-2-Tetrahydrofuranyl]Methyl (Hydroxy-Phosphonooxyphosphoryl) Hydrogen Phosphate; [5-[4-Amino-5-[3-[2-[2-[2-[2-[2-[2-[6-[6-[5-(2-Keto-1,3,3A,4,6,6A-Hexahydrothieno[3,4-D]Imidazol-6-Yl)Pentanoylamino]Hexanoylamino]Hexanoylamino]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Ethoxy]Prop-1-Ynyl]Pyrrolo[2,3-D]Pyrimidin-7-Yl]-3-Hydroxy-Tetrahydrofuran-2-Yl]Methyl (Hydroxy-Phosphonooxy-Phosphoryl) Hydrogen Phosphate
• Molecular Formula: C₄₈H₈₀N₉O₂₂P₃S
• Molecular Weight: 1260.19
• CAS Registry Number: 147958-08-5
• SMILES: C1=C(C3=C([N]1C2OC(C(O)C2)CO[P](O[P](O[P](=O)(O)O)(=O)O)(=O)O)N=CN=C3N)C#CCOCCOCCOCCOCCOCCOCCNC(=O)CCCCCNC(=O)CCCCCNC(=O)CCCCC4SCC5NC(=O)NC45
• InChI: 1S/C48H80N9O22P3S/c49-46-44-35(31-57(47(44)54-34-53-46)43-30-37(58)38(77-43)32-76-81(66,67)79-82(68,69)78-80(63,64)65)10-9-18-70-20-22-72-24-26-74-28-29-75-27-25-73-23-21-71-19-17-52-42(61)13-4-2-8-15-50-40(59)12-3-1-7-16-51-41(60)14-6-5-11-39-45-36(33-83-39)55-48(62)56-45/h31,34,36-39,43,45,58H,1-8,11-30,32-33H2,(H,50,59)(H,51,60)(H,52,61)(H,66,67)(H,68,69)(H2,49,53,54)(H2,55,56,62)(H2,63,64,65)
• InChIKey: KVFCXQIOGIHENX-UHFFFAOYSA-N