HMDB0240697 RDKit 3D Dodecanoyl-sn-glycero-3-phosphocholine (isomer 1) (LPC(12:0) i1) † ‡ 71 70 0 0 0 0 0 0 0 0999 V2000 10.1652 0.4752 -1.3595 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7104 0.1728 -1.1914 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5129 -1.1597 -0.4763 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9525 -1.1041 -0.0823 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9209 -0.0287 0.9299 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7017 0.5999 1.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9607 1.3982 0.3934 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4353 0.6841 -0.7866 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4110 -0.3700 -0.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4486 0.5002 0.5225 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6466 1.4582 -0.2895 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4871 0.6553 -0.8959 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2731 1.1311 -1.7271 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3998 -0.6042 -0.3728 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5951 -1.5638 -0.5898 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7317 -1.2294 0.3359 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.1393 -1.3210 1.6504 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3733 0.0785 0.2694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9989 0.2463 -1.0340 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5875 0.1306 -0.6908 P 0 0 0 0 0 5 0 0 0 0 0 0 -4.7884 -0.0407 0.8539 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9933 -1.5616 -1.2221 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.8328 0.9792 -1.3356 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7927 0.9922 -0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8825 0.1431 -0.7792 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9557 -0.1001 0.1333 N 0 0 0 0 0 4 0 0 0 0 0 0 -10.0199 -0.7565 -0.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3999 -1.1152 1.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3159 1.0251 0.9299 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3468 1.6057 -1.2164 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8037 0.0582 -0.5246 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6037 0.1208 -2.3075 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3595 -0.0090 -2.2906 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0696 0.9912 -0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5788 -1.9749 -1.1801 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0134 -1.2892 0.4450 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3353 -1.0719 -0.9318 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8344 -2.1471 0.3650 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7728 0.7269 0.8578 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3442 -0.6036 1.8915 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0208 -0.1240 1.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0154 1.3334 2.2399 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7796 2.1023 -0.0159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2431 2.1245 0.8204 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0807 0.3295 -1.5648 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7642 1.4265 -1.3230 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9091 -0.6953 -1.1923 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8555 -1.1826 0.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7179 -0.2866 0.9414 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9619 0.8967 1.3814 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1024 1.9322 -1.1490 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1562 2.2147 0.3352 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2406 -2.5508 -0.2917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9366 -1.4898 -1.6410 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5214 -2.0117 0.2351 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6562 -0.6702 2.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6642 0.9532 0.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1281 0.2595 1.0176 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2994 0.7130 0.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0741 2.0934 -0.1960 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3630 -0.8663 -1.0071 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2294 0.5270 -1.7277 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5722 -1.7224 -0.9494 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8183 -1.0910 0.1269 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.3526 -0.1700 -1.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5967 -1.6878 0.5861 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9916 -0.6050 1.9693 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1948 -1.8091 1.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5652 1.8994 0.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1022 0.7130 1.6346 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4352 1.3219 1.5712 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 2 0 12 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 20 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 1 0 26 29 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 3 35 1 0 3 36 1 0 4 37 1 0 4 38 1 0 5 39 1 0 5 40 1 0 6 41 1 0 6 42 1 0 7 43 1 0 7 44 1 0 8 45 1 0 8 46 1 0 9 47 1 0 9 48 1 0 10 49 1 0 10 50 1 0 11 51 1 0 11 52 1 0 15 53 1 0 15 54 1 0 16 55 1 1 17 56 1 0 18 57 1 0 18 58 1 0 24 59 1 0 24 60 1 0 25 61 1 0 25 62 1 0 27 63 1 0 27 64 1 0 27 65 1 0 28 66 1 0 28 67 1 0 28 68 1 0 29 69 1 0 29 70 1 0 29 71 1 0 M CHG 2 22 -1 26 1 M END