HMDB0244752 RDKit 3D N-Acetyl-3-(nitrosulfanyl)-L-valine 27 26 0 0 0 0 0 0 0 0999 V2000 3.4572 -0.8996 1.0836 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3650 -0.7275 0.0912 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5041 -1.3636 -0.9864 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2455 0.0968 0.3398 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1797 0.2632 -0.6463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0484 1.6589 -1.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5128 2.6524 -0.3990 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6266 2.0267 -2.2280 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0679 -0.4308 -0.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5316 0.1018 1.1740 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7409 -1.8914 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4222 -0.2531 -1.3200 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.0449 1.3720 -1.3274 N 0 0 0 0 0 4 0 0 0 0 0 0 -3.6169 1.8082 -2.3350 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9159 2.1705 -0.2220 O 0 0 0 0 0 1 0 0 0 0 0 0 3.7203 -1.9700 1.0939 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2171 -0.4871 2.0853 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3522 -0.3778 0.6759 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1586 0.5983 1.2309 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4975 -0.3330 -1.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1227 2.3801 -3.0351 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6090 -0.1721 1.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4461 1.1725 1.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0006 -0.4942 1.9652 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0737 -2.3035 -0.7732 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3452 -2.1113 1.0386 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6941 -2.4863 -0.0568 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 1 0 6 7 2 0 6 8 1 0 5 9 1 0 9 10 1 0 9 11 1 0 9 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 1 16 1 0 1 17 1 0 1 18 1 0 4 19 1 0 5 20 1 0 8 21 1 0 10 22 1 0 10 23 1 0 10 24 1 0 11 25 1 0 11 26 1 0 11 27 1 0 M CHG 2 13 1 15 -1 M END