basic_info |
|
| Product_Name: | 1,N6-ETHENO NAD |
| CAS: | 38806-38-1 |
| EnglishSynonyms: | 1,N6-ETHENO NAD ; 1,N6-ETHENONICOTINAMIDE ADENINE DINUCLEOTIDE ; NICOTINAMIDE 1,N6-ETHENOADENINE DINUCLEOTIDE ; EPSILON-NAD |
| pro_mdlNumber: | MFCD00063546 |
| pro_acceptors: | 21 |
| pro_donors: | 6 |
| pro_smile: | c1cc(c[n+](c1)[C@H]2[C@@H]([C@@H]([C@H](O2)COP(=O)([O-])OP(=O)(O)OC[C@@H]3[C@H]([C@H]([C@@H](O3)n4cnc5c4ncn6c5ncc6)O)O)O)O)C(=O)N |
| InChi: | InChI=1S/C23H27N7O14P2/c24-19(35)11-2-1-4-28(6-11)22-17(33)15(31)12(42-22)7-40-45(36,37)44-46(38,39)41-8-13-16(32)18(34)23(43-13)30-10-26-14-20-25-3-5-29(20)9-27-21(14)30/h1-6,9-10,12-13,15-18,22-23,31-34H,7-8H2,(H3-,24,35,36,37,38,39)/t12-,13-,15-,16-,17-,18-,22-,23-/m1/s1 |
| InChiKey: | InChIKey=JCDBQDNBEQHDHK-BSLNIGMPSA-N |
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