HMDB0031200 RDKit 3D 2-Methyl-2-[(1-oxo-2-propenyl)amino]-1-propanesulfonic acid 26 25 0 0 0 0 0 0 0 0999 V2000 3.1007 1.7961 0.3453 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1621 0.6489 -0.2687 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0186 -0.2192 -0.4050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1821 -1.3220 -1.0241 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7693 0.1381 0.1258 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3560 -0.7304 -0.0156 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6827 -0.9840 -1.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0226 -2.0924 0.5724 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5782 -0.2737 0.7266 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1777 1.2958 0.2340 S 0 0 0 0 0 6 0 0 0 0 0 0 -1.2212 2.4075 0.4066 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6688 1.2481 -1.1975 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5495 1.6292 1.1802 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2268 2.2075 0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0164 2.4054 0.4097 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1162 0.3223 -0.7020 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6501 1.0312 0.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7947 -1.1147 -1.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1947 -1.8741 -1.8803 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3782 -0.0977 -2.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8622 -2.5637 1.0238 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7569 -1.9109 1.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5194 -2.7313 -0.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4661 -0.3253 1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3894 -1.0217 0.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2216 2.1307 0.6431 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 6 8 1 0 6 9 1 0 9 10 1 0 10 11 2 0 10 12 2 0 10 13 1 0 1 14 1 0 1 15 1 0 2 16 1 0 5 17 1 0 7 18 1 0 7 19 1 0 7 20 1 0 8 21 1 0 8 22 1 0 8 23 1 0 9 24 1 0 9 25 1 0 13 26 1 0 M END