HMDB0241865 RDKit 3D (2R,3R,4E)-2,3-Dihydroxy-5-(methylsulfanyl)pent-4-enoylcarnitine 44 43 0 0 0 0 0 0 0 0999 V2000 5.6410 -1.0932 -0.9878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 -1.0144 -1.7527 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0155 0.2552 -1.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4607 0.9214 0.0525 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6889 1.9890 0.7235 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5711 3.0124 1.1111 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9286 1.4749 1.9228 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7454 0.9595 2.8985 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9800 0.4337 1.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9512 -0.7168 1.9266 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0455 0.6958 0.4925 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9011 -0.2371 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7359 -0.5921 -1.4188 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8324 0.4924 -2.3870 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7037 0.1865 -3.6117 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0500 1.8227 -2.1080 O 0 0 0 0 0 1 0 0 0 0 0 0 -2.2331 0.2414 0.4444 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3804 -0.5161 0.0867 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.2705 -1.9306 0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9511 -0.0835 -1.1942 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4226 -0.1390 1.0717 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1896 -1.9424 -1.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5422 -1.3003 0.0809 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1607 -0.1237 -1.1455 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0460 0.5065 -1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4406 0.6897 0.4644 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9908 2.4300 -0.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1698 2.6453 1.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3767 2.3296 2.3603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4217 0.3791 2.4355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6778 -1.1729 0.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2487 -1.1500 -1.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4787 -1.3660 -1.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2137 0.2874 1.5786 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4482 1.2980 0.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0952 -2.3504 0.7495 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3453 -2.2822 0.5794 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4575 -2.4108 -0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0688 0.0494 -1.1225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7984 -0.9021 -1.9283 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5610 0.8862 -1.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4208 -0.1647 0.6184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3277 -0.8443 1.9401 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2430 0.8676 1.4499 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 5 7 1 0 7 8 1 0 7 9 1 0 9 10 2 0 9 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 12 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 18 21 1 0 1 22 1 0 1 23 1 0 1 24 1 0 3 25 1 0 4 26 1 0 5 27 1 0 6 28 1 0 7 29 1 0 8 30 1 0 12 31 1 0 13 32 1 0 13 33 1 0 17 34 1 0 17 35 1 0 19 36 1 0 19 37 1 0 19 38 1 0 20 39 1 0 20 40 1 0 20 41 1 0 21 42 1 0 21 43 1 0 21 44 1 0 M CHG 2 16 -1 18 1 M END