HMDB0245906 RDKit 3D N-Acetyl-S-(3-hydroxypropyl)cysteine 29 28 0 0 0 0 0 0 0 0999 V2000 -2.6695 -1.2751 1.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2909 -0.6398 -0.0416 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9116 -1.0328 -1.0719 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2782 0.3672 -0.1337 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9859 0.9198 -1.4228 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4443 0.9910 -1.8102 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3003 -0.5953 -1.8718 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4693 -1.2441 -0.1895 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4005 -0.3200 0.5500 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6504 -0.7190 1.9699 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5267 -0.7676 2.7573 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4756 2.3443 -1.3751 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0136 2.8393 -0.3696 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2963 3.0955 -2.5261 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3727 -0.6333 1.8271 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7719 -1.4675 1.8789 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1621 -2.2400 1.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7934 0.6620 0.7459 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5567 0.4090 -2.2317 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9415 1.6937 -1.0868 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4708 1.4987 -2.8141 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9481 -2.2573 -0.2678 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4652 -1.2988 0.2285 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3757 -0.3478 0.0141 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0056 0.7011 0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1589 -1.7025 2.0458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3466 0.0220 2.4087 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8753 -1.4464 2.5415 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8008 3.9876 -2.4961 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 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 5 12 1 0 12 13 2 0 12 14 1 0 1 15 1 0 1 16 1 0 1 17 1 0 4 18 1 0 5 19 1 0 6 20 1 0 6 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 10 26 1 0 10 27 1 0 11 28 1 0 14 29 1 0 M END