HMDB0242011 RDKit 3D N-Docosahexaenoyl Cysteine 67 66 0 0 0 0 0 0 0 0999 V2000 -8.5445 0.1441 -4.0881 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8846 1.0805 -3.0896 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3806 0.8427 -1.7146 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5814 0.4887 -0.7343 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1075 0.2577 0.6318 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4950 1.1557 1.6198 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8013 0.7685 2.6626 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4829 -0.5975 3.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9890 -0.8250 3.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1798 0.1671 2.8156 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6873 -0.0544 2.8655 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3480 -1.4074 3.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6759 -2.2665 2.5851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1212 -2.0362 1.2446 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3792 -2.1859 1.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1502 -1.1782 0.8802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6208 -1.3410 0.8757 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2109 -1.1206 -0.4580 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0838 -0.2149 -0.7641 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6641 0.7741 0.1415 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1687 0.6933 0.2870 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9115 0.9092 -0.9612 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2805 1.1875 -2.0062 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3174 0.8194 -1.0520 N 0 0 0 0 0 0 0 0 0 0 0 0 9.0732 1.0226 -2.2465 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8009 -0.2237 -2.7077 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9671 -0.8460 -1.5006 S 0 0 0 0 0 0 0 0 0 0 0 0 10.0137 2.1640 -2.1689 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1493 2.8936 -1.1626 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7885 2.4346 -3.2841 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5933 0.6653 -5.0745 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9470 -0.7671 -4.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5772 -0.0470 -3.7157 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7741 0.9776 -3.1339 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1701 2.1129 -3.3980 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4337 0.9672 -1.5245 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5285 0.3663 -0.9337 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0186 -0.7875 0.9550 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2269 0.4675 0.6226 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6488 2.2495 1.4433 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4161 1.6117 3.3004 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9113 -0.8303 4.0731 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8522 -1.3401 2.3624 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6744 -1.8131 3.4243 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5035 1.1481 2.5207 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2540 0.7172 3.5608 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3284 0.2156 1.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6986 -1.7357 4.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4694 -3.2915 2.9999 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5679 -2.8489 0.5915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4367 -1.0977 0.8129 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7608 -3.1544 1.5321 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7103 -0.2435 0.5960 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8935 -2.4123 1.1363 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1276 -0.7319 1.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8703 -1.8047 -1.2898 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4452 -0.1633 -1.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2615 0.6620 1.1548 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3856 1.8145 -0.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4399 1.4725 1.0496 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3937 -0.2777 0.7774 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8467 0.5853 -0.1732 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3396 1.2623 -3.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2194 -0.0300 -3.6985 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0035 -1.0044 -2.8497 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2632 -0.4049 -1.8232 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7691 2.6383 -3.1240 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 3 4 5 1 0 5 6 1 0 6 7 2 3 7 8 1 0 8 9 1 0 9 10 2 3 10 11 1 0 11 12 1 0 12 13 2 3 13 14 1 0 14 15 1 0 15 16 2 3 16 17 1 0 17 18 1 0 18 19 2 3 19 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 25 28 1 0 28 29 2 0 28 30 1 0 1 31 1 0 1 32 1 0 1 33 1 0 2 34 1 0 2 35 1 0 3 36 1 0 4 37 1 0 5 38 1 0 5 39 1 0 6 40 1 0 7 41 1 0 8 42 1 0 8 43 1 0 9 44 1 0 10 45 1 0 11 46 1 0 11 47 1 0 12 48 1 0 13 49 1 0 14 50 1 0 14 51 1 0 15 52 1 0 16 53 1 0 17 54 1 0 17 55 1 0 18 56 1 0 19 57 1 0 20 58 1 0 20 59 1 0 21 60 1 0 21 61 1 0 24 62 1 0 25 63 1 0 26 64 1 0 26 65 1 0 27 66 1 0 30 67 1 0 M END