Coenzyme A S-(12-((4-Azido-2-Hydroxy-5-(Iodo-125I)Benzoyl)Amino)Dodecanoate)
[CAS# 125108-87-4]

Identification

• Name: Coenzyme A S-(12-((4-Azido-2-Hydroxy-5-(Iodo-125I)Benzoyl)Amino)Dodecanoate)
• Synonyms: Coenzyme A, Ifa-; Ifa-Coa; 12-((4-Azido-5-Iodo-2-Hydroxybenzoyl)Amino)Dodecanoate-Coenzyme A
• Molecular Formula: C₄₀H₆₁IN₁₁O₁₉P₃S
• Molecular Weight: 1251.87
• CAS Registry Number: 125108-87-4
• SMILES: [125I]C1=C(N=[N+]=[N-])C=C(O)C(=C1)C(=O)NCCCCCCCCCCCC(SCCNC(=O)CCNC(=O)[C@H](O)C(CO[P](O[P](OC[C@H]4O[C@@H]([N]2C3=C(N=C2)C(=NC=N3)N)[C@H](O)[C@@H]4O[P](=O)(O)O)(=O)O)(=O)O)(C)C)=O
• InChI: 1S/C40H61IN11O19P3S/c1-40(2,21-68-74(65,66)71-73(63,64)67-20-28-33(70-72(60,61)62)32(56)39(69-28)52-23-49-31-35(42)47-22-48-36(31)52)34(57)38(59)46-15-13-29(54)44-16-17-75-30(55)12-10-8-6-4-3-5-7-9-11-14-45-37(58)24-18-25(41)26(50-51-43)19-27(24)53/h18-19,22-23,28,32-34,39,53,56-57H,3-17,20-21H2,1-2H3,(H,44,54)(H,45,58)(H,46,59)(H,63,64)(H,65,66)(H2,42,47,48)(H2,60,61,62)/t28-,32-,33-,34+,39-/m1/s1/i41-2
• InChIKey: VLPXLFGMSPVZHP-ZYPIRDQASA-N