8964 -OEChem-02210610582D 86 91 0 1 0 0 0 0 0999 V2000 7.9537 -7.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9537 -5.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7238 -7.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7238 -5.4896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1028 5.6195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2960 6.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1537 2.9757 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4838 -4.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7517 -1.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8177 -7.0451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8177 -6.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6178 -7.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6178 -6.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7229 6.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3498 -7.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8100 7.2006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2437 -7.5589 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8257 5.7976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3498 -6.0243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1498 -6.0034 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2876 3.4757 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3741 3.0690 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.7050 3.8122 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2050 4.6782 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6178 -4.0243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7517 -2.5243 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6178 -3.0243 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7072 8.1953 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1498 -7.0451 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 6.6142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0156 5.2112 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6328 7.1927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4838 -7.5243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2437 -5.4896 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7982 5.5917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4838 -5.5243 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1662 2.0909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7104 3.7076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7517 -4.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8857 -3.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4838 -2.5243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5197 2.3418 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8857 -0.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2322 -8.5588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0139 -5.5001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5197 0.6097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8857 -0.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1831 4.4703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1537 1.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8857 -1.0243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8857 0.9757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0197 1.4757 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 8.8857 -0.0243 0.0000 P 0 0 3 0 0 0 0 0 0 0 0 0 7.6416 -7.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4179 -7.8605 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2657 -8.0841 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2657 -4.9644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4179 -5.1880 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6416 -6.0358 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7310 -8.1789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7310 -4.8696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6006 5.2559 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9127 6.5159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7642 2.8681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3657 3.5584 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0944 -4.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6958 -3.9416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3623 -1.6319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9638 -0.9416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8076 3.8134 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8559 2.6788 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4828 3.2333 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5858 4.7106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0808 -3.7143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7517 -3.1443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1547 -3.3343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1413 8.4484 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2094 8.5588 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6856 -7.3571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5765 1.8993 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4583 3.1412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2148 -4.2143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3488 -2.7143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4838 -1.9043 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1397 2.3418 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5757 -0.5612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 54 1 0 0 0 0 1 55 1 0 0 0 0 1 56 1 0 0 0 0 2 11 1 0 0 0 0 2 57 1 0 0 0 0 2 58 1 0 0 0 0 2 59 1 0 0 0 0 3 10 2 0 0 0 0 3 12 1 0 0 0 0 3 60 1 0 0 0 0 4 11 2 0 0 0 0 4 13 1 0 0 0 0 4 61 1 0 0 0 0 5 30 2 0 0 0 0 5 31 1 0 0 0 0 5 62 1 0 0 0 0 6 32 2 0 0 0 0 6 35 1 0 0 0 0 6 63 1 0 0 0 0 21 7 1 6 0 0 0 7 49 1 0 0 0 0 7 64 1 0 0 0 0 7 65 1 0 0 0 0 8 25 1 0 0 0 0 8 36 1 0 0 0 0 8 66 1 0 0 0 0 8 67 1 0 0 0 0 9 26 1 0 0 0 0 9 50 1 0 0 0 0 9 68 1 0 0 0 0 9 69 1 0 0 0 0 10 11 1 0 0 0 0 12 13 2 0 0 0 0 12 33 1 0 0 0 0 13 36 1 0 0 0 0 14 16 2 0 0 0 0 14 18 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 19 1 0 0 0 0 15 33 2 0 0 0 0 16 28 1 0 0 0 0 16 30 1 0 0 0 0 17 29 1 0 0 0 0 17 44 2 0 0 0 0 18 31 2 0 0 0 0 18 35 1 0 0 0 0 19 34 2 0 0 0 0 19 36 1 0 0 0 0 20 29 1 0 0 0 0 20 34 1 0 0 0 0 20 45 2 0 0 0 0 21 22 1 0 0 0 0 21 48 1 0 0 0 0 21 70 1 0 0 0 0 22 23 1 0 0 0 0 22 37 1 1 0 0 0 22 71 1 0 0 0 0 23 24 1 0 0 0 0 23 38 1 1 0 0 0 23 72 1 0 0 0 0 24 35 1 6 0 0 0 24 48 1 0 0 0 0 24 73 1 0 0 0 0 25 27 1 0 0 0 0 25 39 1 1 0 0 0 25 74 1 0 0 0 0 26 27 1 0 0 0 0 26 40 1 1 0 0 0 26 75 1 0 0 0 0 27 41 1 6 0 0 0 27 76 1 0 0 0 0 28 77 1 0 0 0 0 28 78 1 0 0 0 0 29 79 1 0 0 0 0 37 80 1 0 0 0 0 38 81 1 0 0 0 0 39 82 1 0 0 0 0 40 83 1 0 0 0 0 41 84 1 0 0 0 0 42 52 1 0 0 0 0 42 85 1 0 0 0 0 43 53 1 0 0 0 0 43 86 1 0 0 0 0 46 52 2 0 0 0 0 47 53 2 0 0 0 0 49 52 1 0 0 0 0 50 53 1 0 0 0 0 51 52 1 0 0 0 0 51 53 1 0 0 0 0 M END > 1 > 8964 > 22 > 9 > 13 > AAADcQP8e/AAAAAAAAAAAAAAAABAYgEAQDwAAAAAAIGBWAAAHgAA/CAIEADhHAwA8DcGnxAXzL9zJ0OogIKAdKASMS0oIdgBeIuYdNHZwCpvCGSeyNsihYqw8CcAAIgOABAAQAAAECAAIACAAAAAQAAAAA== > InChI=1/C27H33N9O15P2/c1-10-3-12-13(4-11(10)2)35(24-18(32-12)25(42)34-27(43)33-24)5-14(37)19(39)15(38)6-48-52(44,45)51-53(46,47)49-7-16-20(40)21(41)26(50-16)36-9-31-17-22(28)29-8-30-23(17)36/h3-4,8-9,14-16,19-21,26,37-41H,5-7H2,1-2H3,(H,44,45)(H,46,47)(H2,28,29,30)(H,34,42,43)/t14-,15+,16-,19-,20-,21-,26-/m1/s1/f/h34,44,46H,28H2 > -3.661 > C27H33N9O15P2 > 785.55 > CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O > CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)C[C@H]([C@H]([C@H](COP(=O)(O)OP(=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C5N=CN=C6N)O)O)O)O)O > 356.42 > 0 > 53 > 7 > 0 > 0 > 0 > 0 > 1 > 9 > 152122 > 2 > ChemIDplus > 000146145 > 146-14-5 16426-55-4 1H-Purin-6-amine, flavin dinucleotide 1H-Purin-6-amine, flavine dinucleotide 4-26-00-03632 (Beilstein Handbook Reference) ADENOSINE 5'-(TRIHYDROGEN PYROPHOSPHATE), 5'-5'-ESTER with RIBOFLAVINE Adenine-flavin dinucleotide Adenine-flavine dinucleotide Adenine-riboflavin dinuceotide Adenine-riboflavin dinucleotide Adenine-riboflavine dinucleotide BRN 0078150 EINECS 205-663-1 FAD Flamitajin B Flanin F Flavin adenin dinucleotide Flavin adenin dinucleotide [JAN] Flavin adenine dinucleotide Flavin-adenine dinucleotide Flavinat Flavine adenosine diphosphate Flavine-adenine dinucleotide Flavitan Flaziren (free acid) Isoalloxazine-adenine dinucleotide NSC 112207 Riboflavin 5'-(trihydrogen diphosphate), 5'-5'-ester with adenosine Riboflavin 5'-(trihydrogen diphosphate), P'-5'-ester with adenosine Riboflavin 5'-adenosine diphosphate Riboflavin-adenine dinucleotide Riboflavine-adenine dinucleotide > 146-14-5 16426-55-4 > 000146145 > http://chem.sis.nlm.nih.gov/chemidplus/ > http://chem.sis.nlm.nih.gov/chemidplus/direct.jsp?result=advanced®no=000146145 > 8964 1 > 10 11 8 12 13 8 12 33 8 13 36 8 14 16 8 14 18 8 14 32 8 15 17 8 15 33 8 16 30 8 17 29 8 18 31 8 18 35 8 19 34 8 19 36 8 20 29 8 20 34 8 22 37 5 23 38 5 24 35 6 25 39 5 26 40 5 27 41 6 3 10 8 3 12 8 4 11 8 4 13 8 5 30 8 5 31 8 6 32 8 6 35 8 21 7 6 $$$$