HMDB0028822 RDKit 3D Glutamylisoleucine 38 37 0 0 0 0 0 0 0 0999 V2000 -2.6451 2.1780 -0.3884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7187 1.0664 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3780 -0.2778 -0.3055 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6545 -0.4278 0.4825 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4100 -1.3805 0.0753 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1489 -1.2114 -0.6667 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0326 -0.9649 0.0501 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9681 -0.9058 1.3189 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3520 -0.7678 -0.5942 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2555 -1.0625 -2.0262 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9203 0.6037 -0.4796 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1244 1.0006 0.9406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7087 2.3875 0.9683 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9714 3.3974 0.9016 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0833 2.5321 1.0667 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9599 -2.6744 -0.3801 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1695 -3.5581 -0.8375 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3097 -2.9249 -0.3177 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9972 1.9460 -1.4267 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4929 2.2454 0.2836 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0634 3.1231 -0.4691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3279 1.1076 1.0163 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8411 1.1246 -0.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6058 -0.3301 -1.3682 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6034 -1.2817 1.1887 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8725 0.4904 1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4935 -0.6085 -0.2039 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2295 -1.3216 1.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1658 -1.2762 -1.6975 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0516 -1.5209 -0.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0270 -2.0717 -2.1747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5956 -0.4430 -2.5173 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9146 0.5898 -1.0223 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2421 1.2993 -1.0281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1449 1.0168 1.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8053 0.3395 1.4774 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7370 1.8609 0.7005 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8470 -3.2997 -1.0983 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 3 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 12 13 1 0 13 14 2 0 13 15 1 0 5 16 1 0 16 17 2 0 16 18 1 0 1 19 1 0 1 20 1 0 1 21 1 0 2 22 1 0 2 23 1 0 3 24 1 6 4 25 1 0 4 26 1 0 4 27 1 0 5 28 1 1 6 29 1 0 9 30 1 1 10 31 1 0 10 32 1 0 11 33 1 0 11 34 1 0 12 35 1 0 12 36 1 0 15 37 1 0 18 38 1 0 M END