HMDB0002194 RDKit 3D N-acetyl-S-(3-oxo-3-carboxy-n-propyl)cysteine 30 29 0 0 0 0 0 0 0 0999 V2000 5.3790 -0.4629 -0.6451 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9549 -0.8417 -0.6692 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6468 -1.9985 -1.0778 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9969 0.0880 -0.2408 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5219 -0.2435 -0.2435 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1342 -0.1169 1.1717 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3182 -0.4084 1.9289 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8888 0.1989 1.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7144 -0.2616 0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0837 0.3398 0.7378 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3854 1.1250 1.6610 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0263 -0.0053 -0.2927 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7261 -0.7917 -1.2146 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3133 0.5498 -0.2681 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9359 0.6462 -1.2338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7097 1.4992 -1.8029 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3558 0.6819 -1.6399 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9046 -0.8294 -1.5654 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8553 -0.9779 0.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4909 0.6310 -0.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2154 1.0244 0.0927 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4805 -1.2769 -0.6103 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5338 0.9510 1.4723 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9808 -0.7123 1.7371 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0389 1.3261 1.8879 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4921 -0.1150 2.7999 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9251 -1.3787 0.7970 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2668 -0.1552 -0.2777 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4069 1.5630 -0.2731 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7990 -0.0487 -2.1803 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 2 0 10 12 1 0 12 13 2 0 12 14 1 0 5 15 1 0 15 16 2 0 15 17 1 0 1 18 1 0 1 19 1 0 1 20 1 0 4 21 1 0 5 22 1 6 6 23 1 0 6 24 1 0 8 25 1 0 8 26 1 0 9 27 1 0 9 28 1 0 14 29 1 0 17 30 1 0 M END