Mol:BMCCPPPR0005
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 42 46 0 0 0 0 0 0 0 0999 V2000 | + | 42 46 0 0 0 0 0 0 0 0999 V2000 |
| − | 3.9801 1.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.9801 1.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0582 1.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0582 1.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.5222 3.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.5222 3.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7307 2.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7307 2.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5622 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5622 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5430 3.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5430 3.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.3303 4.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3303 4.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4504 4.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4504 4.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3552 2.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3552 2.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9108 2.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9108 2.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.1059 1.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1059 1.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.0278 0.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.0278 0.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5638 -0.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5638 -0.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3552 -0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3552 -0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5238 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5238 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.5430 -1.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5430 -1.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.7557 -2.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.7557 -2.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.6356 -1.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6356 -1.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7307 -0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7307 -0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1752 0.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1752 0.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1752 2.1124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1752 2.1124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.5238 3.4994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.5238 3.4994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.9108 0.1508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.9108 0.1508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.5622 -1.2362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5622 -1.2362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0859 1.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0859 1.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9997 3.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9997 3.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 3.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 3.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.0969 5.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.0969 5.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.3030 4.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.3030 4.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.2768 5.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2768 5.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.0278 0.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.0278 0.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.0863 -1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.0863 -1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.0860 -1.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.0860 -1.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.6085 -2.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6085 -2.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.9891 -3.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.9891 -3.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2637 -4.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2637 -4.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.4972 -4.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4972 -4.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7830 -2.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7830 -2.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.1313 -3.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.1313 -3.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.6081 -2.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.6081 -2.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.4560 -5.2703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.4560 -5.2703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.7718 -5.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.7718 -5.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4 5 2 0 0 0 0 | + | 4 5 2 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 6 22 2 0 0 0 0 | + | 6 22 2 0 0 0 0 |
| − | 9 8 1 0 0 0 0 | + | 9 8 1 0 0 0 0 |
| − | 8 7 2 0 0 0 0 | + | 8 7 2 0 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 21 4 1 0 0 0 0 | + | 21 4 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 3 2 2 0 0 0 0 | + | 3 2 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 22 9 1 0 0 0 0 | + | 22 9 1 0 0 0 0 |
| − | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
| − | 10 9 2 0 0 0 0 | + | 10 9 2 0 0 0 0 |
| − | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 1 20 2 0 0 0 0 | + | 1 20 2 0 0 0 0 |
| − | 20 19 1 0 0 0 0 | + | 20 19 1 0 0 0 0 |
| − | 11 23 1 0 0 0 0 | + | 11 23 1 0 0 0 0 |
| − | 23 14 1 0 0 0 0 | + | 23 14 1 0 0 0 0 |
| − | 14 13 2 0 0 0 0 | + | 14 13 2 0 0 0 0 |
| − | 13 12 1 0 0 0 0 | + | 13 12 1 0 0 0 0 |
| − | 12 11 2 0 0 0 0 | + | 12 11 2 0 0 0 0 |
| − | 24 19 2 0 0 0 0 | + | 24 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 |
| − | 17 16 1 0 0 0 0 | + | 17 16 1 0 0 0 0 |
| − | 16 24 1 0 0 0 0 | + | 16 24 1 0 0 0 0 |
| − | 14 15 1 0 0 0 0 | + | 14 15 1 0 0 0 0 |
| − | 16 15 2 0 0 0 0 | + | 16 15 2 0 0 0 0 |
| − | 7 28 1 0 0 0 0 | + | 7 28 1 0 0 0 0 |
| − | 8 29 1 0 0 0 0 | + | 8 29 1 0 0 0 0 |
| − | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
| − | 12 31 1 0 0 0 0 | + | 12 31 1 0 0 0 0 |
| − | 13 32 1 0 0 0 0 | + | 13 32 1 0 0 0 0 |
| − | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
| − | 34 39 1 0 0 0 0 | + | 34 39 1 0 0 0 0 |
| − | 34 40 2 0 0 0 0 | + | 34 40 2 0 0 0 0 |
| − | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
| − | 17 35 1 0 0 0 0 | + | 17 35 1 0 0 0 0 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 37 41 1 0 0 0 0 | + | 37 41 1 0 0 0 0 |
| − | 37 42 2 0 0 0 0 | + | 37 42 2 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
| − | 18 38 1 0 0 0 0 | + | 18 38 1 0 0 0 0 |
| − | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
| − | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
| − | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPPPR0005 | + | ID BMCCPPPR0005 |
| − | NAME Protoporphyrin IX | + | NAME Protoporphyrin IX |
| − | FORMULA C34H34N4O4 | + | FORMULA C34H34N4O4 |
| − | EXACTMASS 562.258 | + | EXACTMASS 562.258 |
| − | AVERAGEMASS 562.6583 | + | AVERAGEMASS 562.6583 |
| − | SMILES c(c3)(n1)c(C)c(C=C)c1cc(C(C)=2)nc(cc(c5C)nc(c5CCC(O)=O)cc(C=4CCC(O)=O)nc3C4C)C2C=C | + | SMILES c(c3)(n1)c(C)c(C=C)c1cc(C(C)=2)nc(cc(c5C)nc(c5CCC(O)=O)cc(C=4CCC(O)=O)nc3C4C)C2C=C |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02191 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02191 |
M END | M END | ||
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Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
42 46 0 0 0 0 0 0 0 0999 V2000
3.9801 1.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0582 1.9190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5222 3.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7307 2.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5622 3.4994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5430 3.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3303 4.6164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4504 4.1524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3552 2.9439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9108 2.1124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1059 1.1316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0278 0.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5638 -0.7758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3552 -0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5238 -1.2362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5430 -1.4313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7557 -2.3532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6356 -1.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7307 -0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1752 0.1508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1752 2.1124 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5238 3.4994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9108 0.1508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5622 -1.2362 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.0859 1.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9997 3.8916 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 3.8654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0969 5.5888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3030 4.6749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2768 5.6746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0278 0.3443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0863 -1.6284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0860 -1.6022 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6085 -2.4549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9891 -3.3255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2637 -4.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4972 -4.9862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7830 -2.4117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1313 -3.3337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
12.6081 -2.4287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4560 -5.2703 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4.7718 -5.6746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
4 5 2 0 0 0 0
6 5 1 0 0 0 0
6 22 2 0 0 0 0
9 8 1 0 0 0 0
8 7 2 0 0 0 0
7 6 1 0 0 0 0
21 4 1 0 0 0 0
4 3 1 0 0 0 0
3 2 2 0 0 0 0
2 1 1 0 0 0 0
22 9 1 0 0 0 0
11 10 1 0 0 0 0
10 9 2 0 0 0 0
1 21 1 0 0 0 0
1 20 2 0 0 0 0
20 19 1 0 0 0 0
11 23 1 0 0 0 0
23 14 1 0 0 0 0
14 13 2 0 0 0 0
13 12 1 0 0 0 0
12 11 2 0 0 0 0
24 19 2 0 0 0 0
19 18 1 0 0 0 0
18 17 2 0 0 0 0
17 16 1 0 0 0 0
16 24 1 0 0 0 0
14 15 1 0 0 0 0
16 15 2 0 0 0 0
7 28 1 0 0 0 0
8 29 1 0 0 0 0
29 30 2 0 0 0 0
12 31 1 0 0 0 0
13 32 1 0 0 0 0
32 33 1 0 0 0 0
34 39 1 0 0 0 0
34 40 2 0 0 0 0
33 34 1 0 0 0 0
17 35 1 0 0 0 0
35 36 1 0 0 0 0
37 41 1 0 0 0 0
37 42 2 0 0 0 0
36 37 1 0 0 0 0
18 38 1 0 0 0 0
2 25 1 0 0 0 0
3 26 1 0 0 0 0
26 27 2 0 0 0 0
S SKP 7
ID BMCCPPPR0005
NAME Protoporphyrin IX
FORMULA C34H34N4O4
EXACTMASS 562.258
AVERAGEMASS 562.6583
SMILES c(c3)(n1)c(C)c(C=C)c1cc(C(C)=2)nc(cc(c5C)nc(c5CCC(O)=O)cc(C=4CCC(O)=O)nc3C4C)C2C=C
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02191
M END
