HMDB0001057 RDKit 3D 3-Methylglutaconyl-CoA 99101 0 0 0 0 0 0 0 0999 V2000 12.2002 -1.1711 -1.3246 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8131 -1.6830 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5059 -2.6503 0.5659 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6686 -3.2856 -0.0279 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2548 -4.2010 0.5861 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1649 -2.9204 -1.2552 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6259 -1.0552 0.6834 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4043 -1.2434 -0.1212 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4830 -1.9122 -1.1385 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8601 -0.5279 0.3519 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0543 0.8630 1.5238 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6189 2.0443 0.7452 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6263 2.3490 -0.3012 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3191 2.7917 0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0255 2.9361 1.2512 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3060 3.0842 -0.9724 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0760 3.7255 -0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3626 2.9979 0.5686 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7740 1.7304 0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8511 1.0842 -0.6230 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0300 1.0847 1.5695 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7956 -0.2724 1.2731 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6579 1.6988 1.7601 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7161 3.1696 2.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0940 1.0421 3.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3184 1.3288 0.6792 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5145 -0.0658 0.6370 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6387 -0.4442 -0.5665 P 0 0 0 0 0 5 0 0 0 0 0 0 -2.1255 -1.8645 -0.3709 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8218 -0.4109 -2.0541 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8858 0.6774 -0.4914 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1689 0.2032 0.4813 P 0 0 0 0 0 5 0 0 0 0 0 0 -3.7876 -0.8982 1.4576 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5993 1.5531 1.4469 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5037 -0.3465 -0.3844 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3938 0.0165 -1.7243 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5676 -0.4522 -2.5322 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.7557 -1.8042 -2.5404 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1170 -2.0854 -2.5207 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.4097 -2.8299 -1.3377 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.5178 -3.6067 -0.6942 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0837 -4.1708 0.3662 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.3576 -3.7762 0.4408 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3903 -4.0402 1.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1187 -4.9108 2.3902 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.6054 -3.4654 1.1038 N 0 0 0 0 0 0 0 0 0 0 0 0 -11.8084 -2.6297 0.0405 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7640 -2.4047 -0.7813 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5494 -2.9363 -0.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8618 -0.7906 -2.6715 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.9612 -0.5408 -4.0605 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8589 0.1948 -2.0988 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.0220 1.4812 -2.6152 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3118 2.5288 -1.2889 P 0 0 0 0 0 5 0 0 0 0 0 0 -7.6409 3.8593 -1.5249 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.9702 2.6720 -1.0814 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6858 1.8008 0.1169 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2180 -0.7191 -1.2651 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4583 -0.4251 -1.6957 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2484 -1.9817 -2.0840 H 0 0 0 0 0 0 0 0 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0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 21 23 1 0 23 24 1 0 23 25 1 0 23 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 28 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 32 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 44 45 1 0 44 46 1 0 46 47 2 0 47 48 1 0 48 49 2 0 39 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 54 57 1 0 52 37 1 0 49 40 1 0 49 43 1 0 1 58 1 0 1 59 1 0 1 60 1 0 3 61 1 0 6 62 1 0 7 63 1 0 7 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 0 16 70 1 0 16 71 1 0 17 72 1 0 17 73 1 0 18 74 1 0 21 75 1 1 22 76 1 0 24 77 1 0 24 78 1 0 24 79 1 0 25 80 1 0 25 81 1 0 25 82 1 0 26 83 1 0 26 84 1 0 30 85 1 0 34 86 1 0 36 87 1 0 36 88 1 0 37 89 1 6 39 90 1 6 41 91 1 0 45 92 1 0 45 93 1 0 47 94 1 0 50 95 1 1 51 96 1 0 52 97 1 1 56 98 1 0 57 99 1 0 M END