HMDB0241479 RDKit 3D (2E)-4-Hydroxyhexadecenoylcarnitine 72 71 0 0 0 0 0 0 0 0999 V2000 10.4318 2.3489 0.0407 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9905 1.9781 -0.3352 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7056 0.6560 0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2604 0.2319 0.0126 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1014 0.0999 -1.4530 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7613 -0.3046 -1.9332 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1895 -1.6106 -1.6334 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9455 -2.0264 -0.2415 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0786 -1.1226 0.5755 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6929 -0.9593 -0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9200 -0.0298 0.8965 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5503 0.1529 0.3373 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2364 -1.1328 0.2211 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4158 -1.7593 1.4437 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5880 -0.7885 -0.3166 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6661 -0.9665 0.3843 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9633 -0.6136 -0.1881 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0170 -0.1378 -1.3627 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1483 -0.7698 0.4835 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4381 -0.3876 -0.1641 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1141 -1.7036 -0.2785 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4169 -1.7640 -0.9508 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9384 -0.8451 -1.6173 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1786 -2.9444 -0.8613 O 0 0 0 0 0 1 0 0 0 0 0 0 -6.9469 0.5865 0.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1374 1.2958 0.7013 N 0 0 0 0 0 4 0 0 0 0 0 0 -8.0026 2.3949 1.7231 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3467 0.6225 1.1431 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3322 2.0314 -0.5284 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5246 3.4387 0.0835 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6568 1.8935 1.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1105 1.8818 -0.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2716 2.7474 -0.0232 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0036 1.8535 -1.4505 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3365 -0.1552 -0.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8463 0.6798 1.4009 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0760 -0.6481 0.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6489 1.1132 0.4058 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3089 1.0971 -1.9538 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8465 -0.6465 -1.8509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7000 -0.1464 -3.0722 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0664 0.5520 -1.5979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9082 -2.4058 -2.0604 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2595 -1.8222 -2.2747 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8314 -2.3248 0.2930 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3021 -2.9974 -0.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4777 -0.0988 0.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0084 -1.5705 1.5976 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7999 -0.4391 -0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1893 -1.9088 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7972 -0.4746 1.9210 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3901 0.9441 1.0136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0575 0.8133 1.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5356 0.6473 -0.6519 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1964 -1.8284 -0.5485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4894 -2.0344 1.7584 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6464 -0.3788 -1.3246 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6163 -1.3741 1.3890 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1331 -0.0246 -1.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4516 -2.4058 -0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1796 -2.2448 0.7044 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1125 1.3237 0.9888 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9820 0.0326 1.8155 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9588 2.9177 1.8164 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7247 1.8912 2.6659 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1598 2.9946 1.3773 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0937 -0.4158 1.5106 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8258 1.0989 2.0208 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1386 0.6071 0.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3895 1.8423 -0.8656 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2461 3.1296 -0.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6068 1.7413 -1.3148 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 13 15 1 0 15 16 2 3 16 17 1 0 17 18 2 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 20 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 12 53 1 0 12 54 1 0 13 55 1 0 14 56 1 0 15 57 1 0 16 58 1 0 20 59 1 0 21 60 1 0 21 61 1 0 25 62 1 0 25 63 1 0 27 64 1 0 27 65 1 0 27 66 1 0 28 67 1 0 28 68 1 0 28 69 1 0 29 70 1 0 29 71 1 0 29 72 1 0 M CHG 2 24 -1 26 1 M END