HMDB0241608 RDKit 3D (7E,10E,13E,16E,19E)-Docosapentaenoylcarnitine 81 80 0 0 0 0 0 0 0 0999 V2000 9.0962 -3.2288 4.4212 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1673 -3.0590 2.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1237 -2.1485 2.4161 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2440 -2.5812 1.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1448 -1.7126 0.9828 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1836 -0.3606 1.5168 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3407 0.7491 0.8436 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5083 0.7809 -0.6177 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3743 1.5868 -1.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5326 1.0430 -2.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4050 1.8522 -2.5646 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1574 1.1682 -2.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2034 1.6832 -1.4398 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2049 3.0412 -0.8736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0393 3.8203 -1.4019 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8262 3.2569 -2.2773 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9357 4.0806 -2.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2778 3.5689 -2.4233 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6934 2.3035 -3.0336 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9415 1.0695 -2.7112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8966 0.7463 -1.2343 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2922 0.5631 -0.7685 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0839 1.4915 -0.5138 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7777 -0.7273 -0.5962 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0682 -1.0248 -0.1687 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7883 -1.6211 -1.3806 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0547 -2.8107 -1.8267 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5965 -3.6348 -2.6147 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7702 -3.0353 -1.3917 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.1068 -1.9956 0.9378 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4519 -1.6517 2.1561 N 0 0 0 0 0 4 0 0 0 0 0 0 -6.3716 -0.8920 2.9931 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2223 -0.9436 2.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1613 -2.8944 2.8993 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1404 -3.3812 4.7820 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7163 -2.3125 4.9394 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4876 -4.1297 4.6605 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0793 -4.0803 2.4900 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1443 -2.6340 2.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1293 -1.1275 2.7981 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2686 -3.6001 1.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1998 -2.2244 1.3343 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1753 -1.7761 -0.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0658 -0.2720 2.6210 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3550 1.7286 1.3517 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5310 -0.1731 -1.1274 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4271 1.3394 -0.9254 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2512 2.6267 -0.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6493 0.0157 -2.3261 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4871 1.8928 -3.6977 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 2.8815 -2.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9760 0.1243 -2.5102 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2975 1.0679 -1.2022 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1413 3.5812 -1.0354 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0870 2.9698 0.2539 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0910 4.8311 -1.0702 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6168 2.2634 -2.5678 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8683 5.1112 -2.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8632 4.2438 -3.8702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0710 4.3836 -2.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2952 3.4920 -1.2702 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7817 2.1013 -2.7333 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7490 2.3847 -4.1702 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0354 0.8638 -3.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6735 0.2177 -3.0952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3458 1.4844 -0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3682 -0.2323 -1.1486 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6649 -0.0910 0.0403 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7560 -0.8944 -2.2381 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8584 -1.8579 -1.1218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7468 -3.0036 0.6238 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2051 -2.2138 1.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9430 -0.8161 4.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5043 0.1072 2.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3492 -1.4264 2.9658 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6570 -1.1484 3.0225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5594 -1.3378 1.2779 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3361 0.1605 2.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1126 -3.1972 2.6087 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8497 -3.6803 2.5525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2265 -2.7454 3.9752 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 14 15 1 0 15 16 2 3 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 27 29 1 0 25 30 1 0 30 31 1 0 31 32 1 0 31 33 1 0 31 34 1 0 1 35 1 0 1 36 1 0 1 37 1 0 2 38 1 0 2 39 1 0 3 40 1 0 4 41 1 0 5 42 1 0 5 43 1 0 6 44 1 0 7 45 1 0 8 46 1 0 8 47 1 0 9 48 1 0 10 49 1 0 11 50 1 0 11 51 1 0 12 52 1 0 13 53 1 0 14 54 1 0 14 55 1 0 15 56 1 0 16 57 1 0 17 58 1 0 17 59 1 0 18 60 1 0 18 61 1 0 19 62 1 0 19 63 1 0 20 64 1 0 20 65 1 0 21 66 1 0 21 67 1 0 25 68 1 0 26 69 1 0 26 70 1 0 30 71 1 0 30 72 1 0 32 73 1 0 32 74 1 0 32 75 1 0 33 76 1 0 33 77 1 0 33 78 1 0 34 79 1 0 34 80 1 0 34 81 1 0 M CHG 2 29 -1 31 1 M END