HMDB0300695 RDKit 3D 4-Methyloctadecanoyl-CoA 140142 0 0 0 0 0 0 0 0999 V2000 17.5574 -1.3630 2.5038 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9012 -0.0253 2.3683 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5597 -0.2040 1.5974 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8316 -0.7822 0.2637 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7315 -0.9715 -0.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5759 -1.8189 -0.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6370 -1.4917 0.6772 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0280 -0.1026 0.5175 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2915 -0.0310 -0.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6918 1.2909 -1.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7135 1.9102 -0.1837 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3938 1.2881 0.0743 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4014 0.0131 0.8017 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0935 -0.6178 1.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1717 -1.0930 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7548 -2.1888 -0.7932 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4857 -0.1414 -0.8054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6420 0.9204 -0.1354 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0990 1.7770 -1.2166 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2437 1.3998 -2.3808 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2545 3.3179 -0.9924 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9255 3.6493 0.7020 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8091 2.8382 1.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5690 3.1140 0.6699 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1907 2.8319 -0.6357 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9048 2.2454 -1.4453 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1702 3.2490 -1.1635 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4031 2.7312 -2.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4748 1.2968 -2.6270 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.5210 0.5381 -1.9764 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3405 1.2491 -1.3533 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5221 -0.9091 -2.1066 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3180 -1.3647 -2.6926 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8169 -1.7205 -0.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6892 -3.2218 -1.2405 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9135 -1.3489 0.2241 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2810 -1.6076 -0.4737 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6107 -0.3557 -0.1533 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1694 -0.0372 0.3190 P 0 0 0 0 0 5 0 0 0 0 0 0 -6.9845 0.2021 -0.9555 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2003 1.4445 1.1517 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8808 -1.2572 1.2417 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2386 -1.8230 0.4145 P 0 0 0 0 0 5 0 0 0 0 0 0 -8.7029 -3.0718 1.1669 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7618 -2.1885 -1.1507 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5237 -0.7220 0.4783 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6408 -1.2468 -0.1639 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8327 -0.3081 -0.1451 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2898 0.0067 1.1012 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5276 -0.5327 1.2912 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4443 0.3047 2.0566 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.2030 1.5018 2.5658 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3628 1.8864 3.1827 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.2963 0.9355 3.0506 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6128 0.8156 3.4746 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.2485 1.8472 4.2223 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.2680 -0.3157 3.1522 N 0 0 0 0 0 0 0 0 0 0 0 0 -17.7051 -1.3191 2.4455 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.4428 -1.1755 2.0531 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.7078 -0.0844 2.3262 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1295 -0.8214 -0.0627 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0492 0.1970 -0.3261 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9625 -0.8014 -0.9740 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1134 0.0235 -2.0766 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0325 -0.7064 -3.5560 P 0 0 0 0 0 5 0 0 0 0 0 0 -14.3169 -1.3695 -3.9906 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5190 0.4356 -4.7155 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8409 -1.9098 -3.4974 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3383 -1.4373 1.6896 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8372 -2.1971 2.3806 H 0 0 0 0 0 0 0 0 0 0 0 0 18.1437 -1.4650 3.4587 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5413 0.6937 1.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6173 0.4325 3.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0291 -0.9592 2.2563 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0287 0.7623 1.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6561 -0.1416 -0.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 16.4018 -1.7681 0.4222 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2037 -1.3779 -1.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4285 0.0743 -1.0426 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0210 -2.0351 -1.3801 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9871 -2.8585 -0.1632 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0146 -1.6095 1.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7518 -2.1960 0.5708 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2655 0.0056 1.3110 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7549 0.7036 0.6243 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6815 -0.8909 -1.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1218 -0.1128 -1.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5540 2.0256 -1.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2268 1.2214 -2.1262 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1781 2.1876 0.8235 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5335 2.9686 -0.6133 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8912 1.2425 -0.9278 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7657 2.0397 0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8228 0.2809 1.8470 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1627 -0.7430 0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3552 -1.4683 1.8376 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5818 0.1058 1.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3356 -1.6421 0.6465 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4162 -1.7545 -1.5725 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9572 -2.7198 -1.3528 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3310 -2.9358 -0.2529 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0609 0.2807 -1.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6711 -0.7387 -1.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2098 1.5589 0.5407 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7697 0.4093 0.3455 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8346 3.4047 1.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7427 4.7448 0.9107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0059 1.7417 1.1806 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7599 2.9927 2.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1700 3.5990 1.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9195 2.8419 -0.4719 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2342 4.3465 -1.1038 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5710 3.0764 -3.1958 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3209 3.1964 -2.9763 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7711 0.7664 -3.1612 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3212 -1.1441 -2.9093 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8567 -2.0248 -2.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9953 -3.4225 -2.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6391 -3.5106 -1.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3264 -3.7659 -0.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8615 -1.3442 -0.1256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0474 -2.0651 1.0797 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1352 -0.3433 0.6386 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4994 -2.3835 0.2934 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9037 -1.9136 -1.3729 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2157 2.2025 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5639 -2.2627 -1.7237 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3695 -1.5224 -1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8985 -2.1912 0.4106 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4339 0.6628 -0.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4010 -1.5055 1.8573 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2766 2.0533 2.5004 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.8278 2.3358 5.0287 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.2163 2.1372 3.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.2425 -2.2353 2.1875 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.6309 -1.8135 0.0129 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.5130 1.0147 -0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.7795 -1.8706 -1.2883 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3776 0.8173 -5.0870 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0596 -1.7212 -4.0495 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 34 36 1 0 34 37 1 0 37 38 1 0 38 39 1 0 39 40 2 0 39 41 1 0 39 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 43 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 52 53 2 0 53 54 1 0 54 55 2 0 55 56 1 0 55 57 1 0 57 58 2 0 58 59 1 0 59 60 2 0 50 61 1 0 61 62 1 0 61 63 1 0 63 64 1 0 64 65 1 0 65 66 2 0 65 67 1 0 65 68 1 0 63 48 1 0 60 51 1 0 60 54 1 0 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 3 75 1 0 4 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 0 6 81 1 0 7 82 1 0 7 83 1 0 8 84 1 0 8 85 1 0 9 86 1 0 9 87 1 0 10 88 1 0 10 89 1 0 11 90 1 0 11 91 1 0 12 92 1 0 12 93 1 0 13 94 1 0 13 95 1 0 14 96 1 0 14 97 1 0 15 98 1 0 16 99 1 0 16100 1 0 16101 1 0 17102 1 0 17103 1 0 18104 1 0 18105 1 0 22106 1 0 22107 1 0 23108 1 0 23109 1 0 24110 1 0 27111 1 0 27112 1 0 28113 1 0 28114 1 0 29115 1 0 32116 1 0 33117 1 0 35118 1 0 35119 1 0 35120 1 0 36121 1 0 36122 1 0 36123 1 0 37124 1 0 37125 1 0 41126 1 0 45127 1 0 47128 1 0 47129 1 0 48130 1 0 50131 1 0 52132 1 0 56133 1 0 56134 1 0 58135 1 0 61136 1 0 62137 1 0 63138 1 0 67139 1 0 68140 1 0 M END