HMDB0241798 RDKit 3D (1‐{[1‐carboxylato‐3‐(trimethylammonio)propan‐2‐ yl]oxy}‐1‐oxoicosa‐5,7,11,14... 78 77 0 0 0 0 0 0 0 0999 V2000 10.6267 1.1810 1.5438 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3202 1.2016 0.7663 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5538 2.4681 1.0485 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2792 2.4688 0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3726 1.3217 0.5958 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1487 1.4442 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7512 0.5478 -1.1001 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4284 -0.7269 -1.3923 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4670 -1.8388 -1.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0606 -2.7039 -1.9602 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1231 -3.7923 -1.6545 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6319 -3.8300 -0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8884 -2.6142 0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9796 -2.0944 -0.6286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2514 -0.9007 -0.2319 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6699 -0.3415 -0.9936 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3924 0.8731 -0.5610 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8672 0.5522 -0.4995 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1547 -0.5641 0.4804 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6176 -0.8071 0.4733 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0548 -1.7181 1.2220 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5149 -0.1115 -0.2874 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9182 -0.3691 -0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3868 -0.8040 -1.6538 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8322 -1.0860 -1.5867 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5153 -1.0361 -0.5394 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.5431 -1.4397 -2.7462 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.5544 0.9713 0.0063 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1706 1.5732 1.2498 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.1787 2.5850 1.5652 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9388 2.3220 1.0153 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9532 0.6796 2.3377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8265 -4.9441 -0.0029 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3334 -5.7466 0.8893 O 0 0 0 0 0 1 0 0 0 0 0 0 11.4855 1.2670 0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6196 1.9872 2.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7190 0.2196 2.0636 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7433 0.3055 1.0158 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5435 1.2051 -0.3351 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1894 3.3034 0.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3715 2.6020 2.1403 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5714 2.4595 -0.8228 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7531 3.4360 0.4352 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0110 1.5117 1.6509 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8288 0.3342 0.5424 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5580 2.3779 -0.0999 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8144 0.7671 -1.6624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6009 -0.8061 -2.4958 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3867 -0.8624 -0.9132 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1499 -1.8703 -0.0312 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4642 -2.5741 -2.9787 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6231 -4.7771 -1.8913 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2611 -3.7665 -2.3698 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5516 -3.8826 0.4165 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0794 -2.1437 1.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7563 -2.5538 -1.6061 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4963 -0.4670 0.7440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9040 -0.7716 -1.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0390 1.2615 0.4050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2502 1.6633 -1.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2255 0.2216 -1.4840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4681 1.4437 -0.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8308 -0.3029 1.5113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5961 -1.4805 0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2113 -1.1723 0.4135 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8859 -1.7662 -1.9534 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2199 -0.0083 -2.4132 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6431 0.9956 -0.0523 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2098 1.6531 -0.8325 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0382 2.0510 1.9803 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7891 3.3862 2.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4941 3.0190 0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6783 2.3421 -0.0780 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9963 3.3604 1.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0786 1.8461 1.5276 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4172 -0.3210 2.2386 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4827 1.1292 3.2327 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8997 0.6568 2.6076 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 2 3 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 3 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 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 2 0 25 27 1 0 23 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 29 32 1 0 12 33 1 0 33 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 3 41 1 0 4 42 1 0 4 43 1 0 5 44 1 0 5 45 1 0 6 46 1 0 7 47 1 0 8 48 1 0 8 49 1 0 9 50 1 0 10 51 1 0 11 52 1 0 11 53 1 0 12 54 1 0 13 55 1 0 14 56 1 0 15 57 1 0 16 58 1 0 17 59 1 0 17 60 1 0 18 61 1 0 18 62 1 0 19 63 1 0 19 64 1 0 23 65 1 0 24 66 1 0 24 67 1 0 28 68 1 0 28 69 1 0 30 70 1 0 30 71 1 0 30 72 1 0 31 73 1 0 31 74 1 0 31 75 1 0 32 76 1 0 32 77 1 0 32 78 1 0 M CHG 2 27 -1 29 1 M RAD 1 34 2 M END