HMDB0301554 RDKit 3D 8-[(2R,3S)-3-(8-hydroxyoctyl)oxiran-2-yl]octanoyl-CoA 137140 0 0 0 0 0 0 0 0999 V2000 5.0994 -1.2159 1.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4905 -1.3098 -0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5498 -2.4802 -0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6360 -1.5532 -1.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5151 -0.4716 -0.9275 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8104 -0.6495 -1.9802 P 0 0 0 0 0 5 0 0 0 0 0 0 7.2302 -0.9420 -3.3544 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7077 0.7748 -2.0711 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7819 -1.9268 -1.4848 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1368 -1.3363 -0.6903 P 0 0 0 0 0 5 0 0 0 0 0 0 9.7333 -0.6338 0.5901 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1543 -2.6400 -0.3064 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9932 -0.2072 -1.6294 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8697 0.4691 -0.7841 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6689 1.4935 -1.5579 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5456 2.1937 -0.7792 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8367 1.8832 -1.1110 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3476 0.8387 -0.2683 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6781 -0.4258 -0.5043 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1188 -1.0347 0.6112 N 0 0 0 0 0 0 0 0 0 0 0 0 16.0631 -0.1122 1.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3963 -0.1921 2.9446 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8914 -1.4077 3.4917 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2341 0.9048 3.6965 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7638 2.0503 3.1646 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4440 2.1253 1.8658 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5840 1.0574 1.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7848 1.5541 -2.5551 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8470 0.8286 -3.0421 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4492 0.8793 -2.6990 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8375 1.1196 -3.9278 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3464 -0.3190 -4.6709 P 0 0 0 0 0 5 0 0 0 0 0 0 10.8375 -0.3286 -4.7196 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9276 -1.6570 -3.7975 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9866 -0.4134 -6.2317 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8068 -0.0378 -0.4848 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3082 -0.3454 -1.7787 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6904 0.3658 0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5128 0.1937 0.0097 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9359 0.9356 1.6536 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9218 1.3579 2.5987 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0692 0.1764 2.9907 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0900 0.6387 3.9897 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0534 1.8443 4.3371 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8428 -0.2876 4.5929 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7791 0.1399 5.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7863 1.1421 5.1279 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9686 0.6582 3.9218 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.4609 0.3064 2.2933 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3057 0.3497 1.9422 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4887 -0.0767 1.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8126 -0.0752 1.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9989 -0.4200 1.0572 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2039 -0.3672 1.9838 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4654 -0.6819 1.2666 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8208 0.2541 0.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1481 -0.2463 -0.4206 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6685 0.5851 -1.5468 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9445 1.9141 -1.3745 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0649 1.0468 -1.5349 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9386 1.0631 -0.3319 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3244 1.5206 -0.4462 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.3556 0.7590 -1.1764 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0938 0.4747 -2.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1492 -0.1755 -3.4041 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6554 -1.5105 -3.1161 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3283 -1.8324 -1.8468 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.5478 -0.9960 -1.5325 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.0437 -1.4439 -0.3075 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2995 -1.2319 2.1041 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7037 -2.1556 1.5203 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7514 -0.3338 1.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5666 -2.1794 -0.5634 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9829 -3.3183 -0.7487 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4219 -2.9072 0.8747 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1969 -2.4584 -0.7094 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2406 -1.6980 -2.0352 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8853 1.1489 -1.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4003 -3.0795 -1.1361 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5699 -0.2254 -0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2594 1.0225 -0.0482 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9479 2.1997 -2.0157 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4986 2.7781 -0.9441 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5957 -0.8909 -1.4854 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5824 -1.7338 4.4524 H 0 0 0 0 0 0 0 0 0 0 0 0 17.5545 -1.9433 2.9131 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6635 2.8922 3.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 14.6982 2.5238 -3.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5226 0.2929 -3.8019 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4573 -0.2001 -2.5323 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6566 -2.1189 -4.2407 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7986 -1.3313 -6.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5514 0.7617 -0.5641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5679 0.3787 -2.4113 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9431 1.0868 1.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3566 1.7985 3.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2923 2.1149 2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6055 -0.2645 2.1046 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7788 -0.5798 3.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7901 -1.2713 4.2683 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1957 0.6413 6.4090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2897 -0.7278 6.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1938 2.0605 4.8346 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3401 1.5143 6.0632 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4525 0.7093 0.4760 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2202 -1.0493 0.8278 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0543 0.9234 2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8393 -0.7851 2.7807 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1574 0.3990 0.2981 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9033 -1.3984 0.5650 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0294 -1.1581 2.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1991 0.6432 2.4478 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3553 -0.7239 1.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3788 -1.7011 0.7906 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0408 0.1637 -0.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8619 1.3094 0.4447 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9112 -0.3291 0.3751 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9486 -1.2950 -0.7595 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2481 0.3061 -2.5402 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.5653 1.1914 -2.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8845 0.0412 0.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4434 1.7216 0.4546 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.7597 1.7066 0.6033 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2902 2.5886 -0.8407 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3145 1.3696 -1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.5480 -0.1569 -0.5516 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.1774 -0.2290 -2.6660 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8221 1.4228 -3.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.9670 0.5975 -3.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7227 -0.1906 -4.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.8470 -2.3175 -3.2460 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.3816 -1.8381 -3.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.7216 -1.9529 -0.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.7941 -2.9005 -1.9464 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.3579 -1.1552 -2.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.3132 0.0788 -1.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.5195 -1.1075 0.4574 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 2 0 10 12 1 0 10 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 22 24 1 0 24 25 2 0 25 26 1 0 26 27 2 0 17 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 32 34 1 0 32 35 1 0 2 36 1 0 36 37 1 0 36 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 2 0 43 45 1 0 45 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 1 0 68 69 1 0 30 15 1 0 60 58 1 0 27 18 1 0 27 21 1 0 1 70 1 0 1 71 1 0 1 72 1 0 3 73 1 0 3 74 1 0 3 75 1 0 4 76 1 0 4 77 1 0 8 78 1 0 12 79 1 0 14 80 1 0 14 81 1 0 15 82 1 0 17 83 1 0 19 84 1 0 23 85 1 0 23 86 1 0 25 87 1 0 28 88 1 0 29 89 1 0 30 90 1 0 34 91 1 0 35 92 1 0 36 93 1 0 37 94 1 0 40 95 1 0 41 96 1 0 41 97 1 0 42 98 1 0 42 99 1 0 45100 1 0 46101 1 0 46102 1 0 47103 1 0 47104 1 0 51105 1 0 51106 1 0 52107 1 0 52108 1 0 53109 1 0 53110 1 0 54111 1 0 54112 1 0 55113 1 0 55114 1 0 56115 1 0 56116 1 0 57117 1 0 57118 1 0 58119 1 0 60120 1 0 61121 1 0 61122 1 0 62123 1 0 62124 1 0 63125 1 0 63126 1 0 64127 1 0 64128 1 0 65129 1 0 65130 1 0 66131 1 0 66132 1 0 67133 1 0 67134 1 0 68135 1 0 68136 1 0 69137 1 0 M END