HMDB0257405 RDKit 3D S-Methylthiocitrulline 28 27 0 0 0 0 0 0 0 0999 V2000 5.3349 0.5963 0.9169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9287 -0.3069 1.6097 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5147 -0.0791 0.5594 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6732 0.7240 -0.5971 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4171 -0.6421 0.8818 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2620 -0.4526 0.0185 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8650 -1.3734 0.3765 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0122 -1.1341 -0.5630 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5338 0.2637 -0.5257 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6543 0.4077 -1.4684 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0261 0.6927 0.7931 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2531 0.7567 1.7692 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3491 1.0334 0.9826 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1811 0.7981 -0.1639 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2789 0.0080 0.9836 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4170 1.5789 1.4251 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3958 0.5895 -1.3187 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0015 1.5180 -0.7287 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0522 0.5956 0.0863 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 -0.6622 -1.0150 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1457 -1.2046 1.4302 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5505 -2.4476 0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8059 -1.8939 -0.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6993 -1.3245 -1.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7277 0.9600 -0.9072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8062 -0.5100 -1.9282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4460 1.1079 -2.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0498 0.4007 1.3635 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 2 3 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 9 11 1 0 11 12 2 0 11 13 1 0 1 14 1 0 1 15 1 0 1 16 1 0 4 17 1 0 4 18 1 0 6 19 1 0 6 20 1 0 7 21 1 0 7 22 1 0 8 23 1 0 8 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 13 28 1 0 M END