HMDB0029133 RDKit 3D Valylmethionine 36 35 0 0 0 0 0 0 0 0999 V2000 4.0640 0.3798 -2.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9869 -0.9908 -0.9163 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7920 -0.3842 0.7871 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4511 0.2646 0.8814 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3575 -0.6938 0.5201 C 0 0 2 0 0 0 0 0 0 0 0 0 0.0600 -0.0165 0.6028 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7063 0.1262 -0.5611 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2527 -0.3382 -1.6745 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0280 0.7771 -0.6564 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4590 0.8829 -2.0107 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1015 0.0817 0.1549 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3796 0.8931 -0.0873 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8451 0.1274 1.6400 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3138 -1.8080 1.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3416 -1.9936 2.2598 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3378 -2.7209 1.5582 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3945 1.3120 -1.6336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0698 0.5662 -2.5757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7586 0.1251 -2.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9001 -1.2307 1.4699 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6182 0.3531 1.0237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3273 0.5628 1.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4499 1.1728 0.2334 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5187 -0.9981 -0.5181 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2471 0.3366 1.5068 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9376 1.8015 -0.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3929 1.2340 -2.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7342 1.1380 -2.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2233 -0.9410 -0.2077 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1359 1.9454 -0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0097 0.7722 0.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9641 0.4559 -0.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2950 -0.7443 2.0307 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8654 0.0583 2.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4397 1.1056 1.9602 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2751 -3.6124 2.0327 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 2 0 7 9 1 0 9 10 1 0 9 11 1 0 11 12 1 0 11 13 1 0 5 14 1 0 14 15 2 0 14 16 1 0 1 17 1 0 1 18 1 0 1 19 1 0 3 20 1 0 3 21 1 0 4 22 1 0 4 23 1 0 5 24 1 6 6 25 1 0 9 26 1 1 10 27 1 0 10 28 1 0 11 29 1 0 12 30 1 0 12 31 1 0 12 32 1 0 13 33 1 0 13 34 1 0 13 35 1 0 16 36 1 0 M END