HMDB0260128 RDKit 3D (2R)-2-Acetyl-1-[(2S)-2-[acetyl-[(2S)-2-[[(2S)-2-amino-3-hydroxypropanoyl]ami... 72 72 0 0 0 0 0 0 0 0999 V2000 1.1791 -2.0122 2.9413 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1957 -1.3462 2.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0214 -1.4797 2.5279 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3547 -0.6159 0.9023 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5845 -0.4568 0.2485 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5423 0.3763 -0.7664 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8736 -1.0908 0.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8163 -2.4975 -0.1187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6340 -2.2298 -1.5710 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5035 -1.9352 -2.0008 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6938 -2.3026 -2.4493 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9260 -0.4443 -0.2979 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1336 -0.0864 0.2926 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3184 -0.3144 1.5225 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2626 0.5605 -0.4151 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9953 0.8751 -1.7832 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7678 1.7814 0.2967 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0481 1.5362 1.6422 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8012 0.0723 0.2793 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2245 1.2920 0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6825 1.2477 2.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1105 2.6635 2.8456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9251 3.5634 2.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3164 4.9056 3.1978 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8183 -0.8619 -0.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6667 -2.0664 0.1982 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9183 -0.5463 -1.0689 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1284 0.8264 -1.5701 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8218 0.6446 -2.9023 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9223 -0.8403 -3.1162 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9777 -1.2918 -1.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9801 -2.7422 -1.5626 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1808 -3.4362 -2.1657 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1589 -3.4652 -1.0929 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3257 -0.7991 -1.1474 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3977 0.0667 -0.2643 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5188 -1.2830 -1.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8251 -1.1868 3.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8283 -2.7505 2.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6881 -2.4218 3.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2114 -1.1249 1.5639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7062 -3.0764 0.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8749 -2.9764 0.2239 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7830 -1.8276 -3.3172 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7432 -0.2741 -1.2962 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0893 -0.2113 -0.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6683 0.4244 -2.4599 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8488 1.8767 -1.9799 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6307 2.2100 -0.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9553 2.5502 0.2891 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7008 2.2333 1.9358 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3545 0.5056 -0.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9128 1.9001 0.4171 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2419 1.9317 1.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 1.0409 3.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5573 0.6371 2.6134 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4235 2.5660 3.8911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9382 3.0239 2.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0937 3.2397 3.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5817 3.7094 1.6830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3110 5.1024 3.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6794 5.6007 2.7490 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7159 1.4389 -0.8939 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1550 1.3012 -1.8112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3076 1.1629 -3.7380 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8506 1.1010 -2.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8542 -1.1052 -3.6396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0130 -1.2380 -3.5985 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9062 -4.4920 -2.4134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5851 -2.8981 -3.0326 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9460 -3.5207 -1.3692 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2378 -0.7196 -2.0662 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 2 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 7 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 4 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 19 25 1 0 25 26 2 0 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 32 34 2 0 31 35 1 0 35 36 2 0 35 37 1 0 31 27 1 0 1 38 1 0 1 39 1 0 1 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 11 44 1 0 12 45 1 0 15 46 1 0 16 47 1 0 16 48 1 0 17 49 1 0 17 50 1 0 18 51 1 0 19 52 1 0 20 53 1 0 20 54 1 0 21 55 1 0 21 56 1 0 22 57 1 0 22 58 1 0 23 59 1 0 23 60 1 0 24 61 1 0 24 62 1 0 28 63 1 0 28 64 1 0 29 65 1 0 29 66 1 0 30 67 1 0 30 68 1 0 33 69 1 0 33 70 1 0 33 71 1 0 37 72 1 0 M END