Mol:BMCCPPHM0003
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 58 65 0 0 1 0 0 0 0 0999 V2000 | + | 58 65 0 0 1 0 0 0 0 0999 V2000 |
| − | 10.8101 -0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.8101 -0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5896 -0.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5896 -0.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.8759 -0.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.8759 -0.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.6554 -0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.6554 -0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.8667 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8667 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6554 0.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6554 0.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9767 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9767 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9767 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9767 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6554 1.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6554 1.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.8667 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8667 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.6554 2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.6554 2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.8759 3.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.8759 3.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5896 3.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5896 3.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.8101 2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.8101 2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5988 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5988 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.8101 1.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.8101 1.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.4888 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.4888 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.4888 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.4888 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.8101 0.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.8101 0.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5988 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5988 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.1774 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.1774 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.2882 -1.7993 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 9.2882 -1.7993 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 9.6949 -2.7128 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.6949 -2.7128 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.1071 -3.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1071 -3.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5139 -4.4354 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 9.5139 -4.4354 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 8.9261 -5.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9261 -5.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.3328 -6.1580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.3328 -6.1580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.7450 -6.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7450 -6.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2936 -1.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2936 -1.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5084 -4.5399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5084 -4.5399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1677 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1677 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.1677 2.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1677 2.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2541 1.8037 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2541 1.8037 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4451 2.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4451 2.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.5316 1.9847 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 4.5316 1.9847 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
| − | 3.7226 2.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7226 2.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.8090 2.1658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.8090 2.1658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4271 0.9902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4271 0.9902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.2882 4.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2882 4.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.1774 4.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.1774 4.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.7706 5.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.7706 5.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.3584 6.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.3584 6.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.2979 2.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2979 2.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.2114 1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.2114 1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 15.0204 2.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.0204 2.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.2979 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.2979 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2328 0.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2328 0.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.2328 1.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.2328 1.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2328 2.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2328 2.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.2328 1.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2328 1.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2328 1.2658 0.0000 Fe 0 1 0 0 0 0 0 0 0 0 0 0 | + | 10.2328 1.2658 0.0000 Fe 0 1 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8271 3.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8271 3.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9315 -5.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9315 -5.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.9159 3.3860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.9159 3.3860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 15.9340 1.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.9340 1.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.3529 5.9489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.3529 5.9489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.9517 6.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.9517 6.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3 4 2 0 0 0 0 | + | 3 4 2 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 2 1 2 0 0 0 0 | + | 2 1 2 0 0 0 0 |
| − | 1 48 1 0 0 0 0 | + | 1 48 1 0 0 0 0 |
| − | 4 48 1 0 0 0 0 | + | 4 48 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 20 19 2 0 0 0 0 | + | 20 19 2 0 0 0 0 |
| − | 19 18 1 0 0 0 0 | + | 19 18 1 0 0 0 0 |
| − | 18 17 2 0 0 0 0 | + | 18 17 2 0 0 0 0 |
| − | 19 49 1 0 0 0 0 | + | 19 49 1 0 0 0 0 |
| − | 49 16 2 0 0 0 0 | + | 49 16 2 0 0 0 0 |
| − | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
| − | 16 15 1 0 0 0 0 | + | 16 15 1 0 0 0 0 |
| − | 15 14 2 0 0 0 0 | + | 15 14 2 0 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 14 50 1 0 0 0 0 | + | 14 50 1 0 0 0 0 |
| − | 50 11 1 0 0 0 0 | + | 50 11 1 0 0 0 0 |
| − | 11 12 1 0 0 0 0 | + | 11 12 1 0 0 0 0 |
| − | 12 13 2 0 0 0 0 | + | 12 13 2 0 0 0 0 |
| − | 11 10 2 0 0 0 0 | + | 11 10 2 0 0 0 0 |
| − | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
| − | 9 51 2 0 0 0 0 | + | 9 51 2 0 0 0 0 |
| − | 51 6 1 0 0 0 0 | + | 51 6 1 0 0 0 0 |
| − | 6 7 1 0 0 0 0 | + | 6 7 1 0 0 0 0 |
| − | 7 8 2 0 0 0 0 | + | 7 8 2 0 0 0 0 |
| − | 8 9 1 0 0 0 0 | + | 8 9 1 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 5 6 2 0 0 0 0 | + | 5 6 2 0 0 0 0 |
| − | 48 52 1 0 0 0 0 | + | 48 52 1 0 0 0 0 |
| − | 52 51 1 0 0 0 0 | + | 52 51 1 0 0 0 0 |
| − | 52 49 1 0 0 0 0 | + | 52 49 1 0 0 0 0 |
| − | 52 50 1 0 0 0 0 | + | 52 50 1 0 0 0 0 |
| − | 7 31 1 0 0 0 0 | + | 7 31 1 0 0 0 0 |
| − | 8 32 1 0 0 0 0 | + | 8 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 34 35 1 0 0 0 0 | + | 34 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 36 53 2 0 0 0 0 | + | 36 53 2 0 0 0 0 |
| − | 35 39 1 4 0 0 0 | + | 35 39 1 4 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 3 22 1 0 0 0 0 | + | 3 22 1 0 0 0 0 |
| − | 22 29 1 4 0 0 0 | + | 22 29 1 4 0 0 0 |
| − | 22 23 1 0 0 0 0 | + | 22 23 1 0 0 0 0 |
| − | 23 24 1 0 0 0 0 | + | 23 24 1 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 25 26 1 0 0 0 0 | + | 25 26 1 0 0 0 0 |
| − | 25 30 1 4 0 0 0 | + | 25 30 1 4 0 0 0 |
| − | 26 27 1 0 0 0 0 | + | 26 27 1 0 0 0 0 |
| − | 26 54 2 0 0 0 0 | + | 26 54 2 0 0 0 0 |
| − | 27 28 1 0 0 0 0 | + | 27 28 1 0 0 0 0 |
| − | 2 21 1 0 0 0 0 | + | 2 21 1 0 0 0 0 |
| − | 18 47 1 0 0 0 0 | + | 18 47 1 0 0 0 0 |
| − | 17 44 1 0 0 0 0 | + | 17 44 1 0 0 0 0 |
| − | 44 45 1 0 0 0 0 | + | 44 45 1 0 0 0 0 |
| − | 45 46 1 0 0 0 0 | + | 45 46 1 0 0 0 0 |
| − | 46 55 1 0 0 0 0 | + | 46 55 1 0 0 0 0 |
| − | 46 56 2 0 0 0 0 | + | 46 56 2 0 0 0 0 |
| − | 13 41 1 0 0 0 0 | + | 13 41 1 0 0 0 0 |
| − | 41 42 1 0 0 0 0 | + | 41 42 1 0 0 0 0 |
| − | 42 43 1 0 0 0 0 | + | 42 43 1 0 0 0 0 |
| − | 43 57 2 0 0 0 0 | + | 43 57 2 0 0 0 0 |
| − | 43 58 1 0 0 0 0 | + | 43 58 1 0 0 0 0 |
| − | 12 40 1 0 0 0 0 | + | 12 40 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPPHM0003 | + | ID BMCCPPHM0003 |
| − | NAME Ferricytochrome c | + | NAME Ferricytochrome c |
| − | FORMULA C41H50FeN8O6S2 | + | FORMULA C41H50FeN8O6S2 |
| − | EXACTMASS 870.2644 | + | EXACTMASS 870.2644 |
| − | AVERAGEMASS 870.863 | + | AVERAGEMASS 870.863 |
| − | SMILES CC(=C8CSCC(C(=O)NC)N)C(=C5)N(=C87)[Fe+3](N=23)(n64)n(c1=C7)c(=CC2C(=C(C)C3=Cc4c(C)c(c56)C(SCC(C(NC)=O)N)C)CCC(O)=O)c(c1C)CCC(O)=O | + | SMILES CC(=C8CSCC(C(=O)NC)N)C(=C5)N(=C87)[Fe+3](N=23)(n64)n(c1=C7)c(=CC2C(=C(C)C3=Cc4c(C)c(c56)C(SCC(C(NC)=O)N)C)CCC(O)=O)c(c1C)CCC(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00125 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00125 |
M END | M END | ||
| − | |||
Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
58 65 0 0 1 0 0 0 0 0999 V2000
10.8101 -0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5896 -0.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8759 -0.9903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6554 -0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8667 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6554 0.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9767 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9767 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6554 1.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8667 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6554 2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8759 3.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5896 3.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8101 2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5988 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8101 1.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4888 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4888 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8101 0.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5988 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1774 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2882 -1.7993 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
9.6949 -2.7128 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
9.1071 -3.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5139 -4.4354 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
8.9261 -5.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3328 -6.1580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7450 -6.9670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2936 -1.6948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5084 -4.5399 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1677 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1677 2.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2541 1.8037 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
5.4451 2.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5316 1.9847 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0
3.7226 2.5725 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8090 2.1658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 2.7535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4271 0.9902 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2882 4.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1774 4.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7706 5.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3584 6.0534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2979 2.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.2114 1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15.0204 2.3914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2979 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2328 0.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
11.2328 1.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2328 2.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2328 1.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2328 1.2658 0.0000 Fe 0 1 0 0 0 0 0 0 0 0 0 0
3.8271 3.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.9315 -5.1399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.9159 3.3860 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
15.9340 1.9847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.3529 5.9489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.9517 6.9670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3 4 2 0 0 0 0
3 2 1 0 0 0 0
2 1 2 0 0 0 0
1 48 1 0 0 0 0
4 48 1 0 0 0 0
1 20 1 0 0 0 0
20 19 2 0 0 0 0
19 18 1 0 0 0 0
18 17 2 0 0 0 0
19 49 1 0 0 0 0
49 16 2 0 0 0 0
16 17 1 0 0 0 0
16 15 1 0 0 0 0
15 14 2 0 0 0 0
14 13 1 0 0 0 0
14 50 1 0 0 0 0
50 11 1 0 0 0 0
11 12 1 0 0 0 0
12 13 2 0 0 0 0
11 10 2 0 0 0 0
10 9 1 0 0 0 0
9 51 2 0 0 0 0
51 6 1 0 0 0 0
6 7 1 0 0 0 0
7 8 2 0 0 0 0
8 9 1 0 0 0 0
4 5 1 0 0 0 0
5 6 2 0 0 0 0
48 52 1 0 0 0 0
52 51 1 0 0 0 0
52 49 1 0 0 0 0
52 50 1 0 0 0 0
7 31 1 0 0 0 0
8 32 1 0 0 0 0
32 33 1 0 0 0 0
33 34 1 0 0 0 0
34 35 1 0 0 0 0
35 36 1 0 0 0 0
36 37 1 0 0 0 0
36 53 2 0 0 0 0
35 39 1 4 0 0 0
37 38 1 0 0 0 0
3 22 1 0 0 0 0
22 29 1 4 0 0 0
22 23 1 0 0 0 0
23 24 1 0 0 0 0
24 25 1 0 0 0 0
25 26 1 0 0 0 0
25 30 1 4 0 0 0
26 27 1 0 0 0 0
26 54 2 0 0 0 0
27 28 1 0 0 0 0
2 21 1 0 0 0 0
18 47 1 0 0 0 0
17 44 1 0 0 0 0
44 45 1 0 0 0 0
45 46 1 0 0 0 0
46 55 1 0 0 0 0
46 56 2 0 0 0 0
13 41 1 0 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
43 57 2 0 0 0 0
43 58 1 0 0 0 0
12 40 1 0 0 0 0
S SKP 7
ID BMCCPPHM0003
NAME Ferricytochrome c
FORMULA C41H50FeN8O6S2
EXACTMASS 870.2644
AVERAGEMASS 870.863
SMILES CC(=C8CSCC(C(=O)NC)N)C(=C5)N(=C87)[Fe+3](N=23)(n64)n(c1=C7)c(=CC2C(=C(C)C3=Cc4c(C)c(c56)C(SCC(C(NC)=O)N)C)CCC(O)=O)c(c1C)CCC(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00125
M END
