HMDB0256114 RDKit 3D Bis(N-pantothenylamidoethyl) disulfide 78 77 0 0 0 0 0 0 0 0999 V2000 9.7371 -2.3746 -0.5801 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5212 -1.4519 -0.6295 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6100 -1.9023 -1.7292 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7711 -1.5246 0.6822 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5706 -1.1351 1.7572 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0801 -0.0568 -0.8861 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9642 0.2160 0.2100 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0130 0.9561 -0.8708 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9252 1.7420 0.1308 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1057 1.0616 -1.9392 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0603 2.0596 -1.8937 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1647 1.7917 -0.7127 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0940 2.8357 -0.6962 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0525 3.7180 -1.5661 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1287 2.7910 0.3383 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0908 3.8008 0.3583 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2054 3.5192 1.5564 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5046 1.8595 1.3470 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8254 1.8336 -0.3296 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4887 2.2527 0.2977 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9337 1.1495 1.1946 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2298 1.3697 1.7478 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3657 1.5043 0.9190 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2168 1.4255 -0.3232 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7241 1.7372 1.5250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7230 1.8256 0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7413 0.6208 -0.3781 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.0795 -0.6003 0.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3737 -0.6405 1.4268 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.1227 -1.8971 -0.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8001 -1.6894 -1.8461 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2779 -2.9622 0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8242 -2.6151 0.2064 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7900 -3.3998 1.4748 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3732 -4.1924 -0.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6634 -4.6458 -0.9225 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2675 -2.1573 0.3629 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4117 -2.0985 -1.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3854 -3.4285 -0.6331 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5790 -1.5247 -1.6592 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5385 -3.0261 -1.6931 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0645 -1.6882 -2.7295 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8662 -0.8879 0.6251 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4620 -2.5753 0.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9435 -1.9479 2.1821 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6976 -0.0930 -1.7775 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4110 1.0659 0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1371 0.4639 -2.7913 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4916 3.0749 -1.7230 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4647 2.0916 -2.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6695 1.8395 0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7106 0.7741 -0.8597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1913 2.0382 1.0522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5071 4.8307 0.3719 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4525 3.6839 -0.5474 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8342 3.5323 2.4621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4033 4.2876 1.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1716 2.4830 -0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3508 3.1989 0.8865 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8927 0.2091 0.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1555 1.0188 1.9890 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3064 1.4284 2.7986 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9150 0.9308 2.2472 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6465 2.7119 2.0551 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4569 2.7232 -0.1982 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7374 1.9610 0.8730 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4997 0.6625 -1.3854 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1765 -2.2434 -0.4759 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4929 -1.0341 -2.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2955 -3.5401 0.5704 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3829 -2.3745 -0.7615 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5982 -1.8465 0.9930 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2053 -4.3219 1.7578 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5550 -2.6492 2.2685 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8725 -3.6438 1.4383 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9282 -3.8592 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7219 -5.0058 -0.4221 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1730 -4.0461 -1.5313 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 4 1 0 4 5 1 0 2 6 1 0 6 7 1 0 6 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 2 0 13 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 32 35 1 0 35 36 1 0 1 37 1 0 1 38 1 0 1 39 1 0 3 40 1 0 3 41 1 0 3 42 1 0 4 43 1 0 4 44 1 0 5 45 1 0 6 46 1 0 7 47 1 0 10 48 1 0 11 49 1 0 11 50 1 0 12 51 1 0 12 52 1 0 15 53 1 0 16 54 1 0 16 55 1 0 17 56 1 0 17 57 1 0 20 58 1 0 20 59 1 0 21 60 1 0 21 61 1 0 22 62 1 0 25 63 1 0 25 64 1 0 26 65 1 0 26 66 1 0 27 67 1 0 30 68 1 0 31 69 1 0 33 70 1 0 33 71 1 0 33 72 1 0 34 73 1 0 34 74 1 0 34 75 1 0 35 76 1 0 35 77 1 0 36 78 1 0 M END