Mol:BMCCPPPR0003
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 43 50 0 0 0 0 0 0 0 0999 V2000 | + | 43 50 0 0 0 0 0 0 0 0999 V2000 |
− | 7.1238 2.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1238 2.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.3444 3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3444 3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.0580 3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0580 3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.2785 2.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2785 2.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.0672 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0672 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.2785 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2785 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.9573 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9573 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.9573 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9573 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.2785 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2785 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.0672 -0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0672 -0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.2785 -0.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2785 -0.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.0580 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0580 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.3444 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3444 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.1238 -0.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1238 -0.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3352 -0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3352 -0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.1238 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1238 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4451 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4451 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4451 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4451 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.1238 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1238 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3352 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3352 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.7012 1.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7012 1.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.7012 0.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7012 0.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.7012 -0.1387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7012 -0.1387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.7012 0.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7012 0.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.7566 3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7566 3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.6458 3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6458 3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.2391 4.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2391 4.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.7663 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.7663 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.7663 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.7663 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.6798 0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6798 0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.6458 -2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6458 -2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.7566 -2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7566 -2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.1633 -3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1633 -3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.5755 -3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5755 -3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.6361 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6361 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7226 0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7226 0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9135 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9135 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.6361 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6361 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.7012 0.8613 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 | + | 7.7012 0.8613 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 |
− | 5.5810 -3.8218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5810 -3.8218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.9823 -4.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9823 -4.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0181 -1.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0181 -1.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
− | 4 21 1 0 0 0 0 | + | 4 21 1 0 0 0 0 |
− | 22 6 1 0 0 0 0 | + | 22 6 1 0 0 0 0 |
− | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
− | 22 9 1 0 0 0 0 | + | 22 9 1 0 0 0 0 |
− | 23 11 1 0 0 0 0 | + | 23 11 1 0 0 0 0 |
− | 11 10 1 0 0 0 0 | + | 11 10 1 0 0 0 0 |
− | 10 9 1 0 0 0 0 | + | 10 9 1 0 0 0 0 |
− | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
− | 20 19 1 0 0 0 0 | + | 20 19 1 0 0 0 0 |
− | 19 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
− | 24 16 1 0 0 0 0 | + | 24 16 1 0 0 0 0 |
− | 16 15 1 0 0 0 0 | + | 16 15 1 0 0 0 0 |
− | 15 14 1 0 0 0 0 | + | 15 14 1 0 0 0 0 |
− | 14 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
− | 6 7 2 0 0 0 0 | + | 6 7 2 0 0 0 0 |
− | 9 8 2 0 0 0 0 | + | 9 8 2 0 0 0 0 |
− | 8 7 1 0 0 0 0 | + | 8 7 1 0 0 0 0 |
− | 4 3 2 0 0 0 0 | + | 4 3 2 0 0 0 0 |
− | 1 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
− | 1 2 2 0 0 0 0 | + | 1 2 2 0 0 0 0 |
− | 2 3 1 0 0 0 0 | + | 2 3 1 0 0 0 0 |
− | 19 18 2 0 0 0 0 | + | 19 18 2 0 0 0 0 |
− | 16 17 2 0 0 0 0 | + | 16 17 2 0 0 0 0 |
− | 18 17 1 0 0 0 0 | + | 18 17 1 0 0 0 0 |
− | 14 13 2 0 0 0 0 | + | 14 13 2 0 0 0 0 |
− | 11 12 2 0 0 0 0 | + | 11 12 2 0 0 0 0 |
− | 12 13 1 0 0 0 0 | + | 12 13 1 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 |
− | 3 26 1 0 0 0 0 | + | 3 26 1 0 0 0 0 |
− | 2 25 1 0 0 0 0 | + | 2 25 1 0 0 0 0 |
− | 18 38 1 0 0 0 0 | + | 18 38 1 0 0 0 0 |
− | 17 35 1 0 0 0 0 | + | 17 35 1 0 0 0 0 |
− | 13 32 1 0 0 0 0 | + | 13 32 1 0 0 0 0 |
− | 12 31 1 0 0 0 0 | + | 12 31 1 0 0 0 0 |
− | 21 39 1 0 0 0 0 | + | 21 39 1 0 0 0 0 |
− | 22 39 1 0 0 0 0 | + | 22 39 1 0 0 0 0 |
− | 23 39 1 0 0 0 0 | + | 23 39 1 0 0 0 0 |
− | 24 39 1 0 0 0 0 | + | 24 39 1 0 0 0 0 |
− | 26 27 2 0 0 0 0 | + | 26 27 2 0 0 0 0 |
− | 29 30 2 0 0 0 0 | + | 29 30 2 0 0 0 0 |
− | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
− | 32 33 1 0 0 0 0 | + | 32 33 1 0 0 0 0 |
− | 34 40 1 0 0 0 0 | + | 34 40 1 0 0 0 0 |
− | 34 41 2 0 0 0 0 | + | 34 41 2 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 37 42 1 0 0 0 0 | + | 37 42 1 0 0 0 0 |
− | 37 43 2 0 0 0 0 | + | 37 43 2 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMCCPPPR0003 | + | ID BMCCPPPR0003 |
− | NAME Magnesium protoporphyrin IX | + | NAME Magnesium protoporphyrin IX |
− | FORMULA C34H36MgN4O4 | + | FORMULA C34H36MgN4O4 |
− | EXACTMASS 588.2586 | + | EXACTMASS 588.2586 |
− | AVERAGEMASS 588.9792 | + | AVERAGEMASS 588.9792 |
− | SMILES n([Mg+2]623)(c15)c(Cc(c8C)n2c(c(CCC(O)=O)8)Cc(c7CCC(O)=O)n3c(c7C)Cc(n64)c(C=C)c(c4C5)C)c(c(C=C)1)C | + | SMILES n([Mg+2]623)(c15)c(Cc(c8C)n2c(c(CCC(O)=O)8)Cc(c7CCC(O)=O)n3c(c7C)Cc(n64)c(C=C)c(c4C5)C)c(c(C=C)1)C |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03516 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03516 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 43 50 0 0 0 0 0 0 0 0999 V2000 7.1238 2.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3444 3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0580 3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2785 2.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0672 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2785 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9573 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9573 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2785 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0672 -0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2785 -0.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0580 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3444 -1.3948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1238 -0.7161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3352 -0.5047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1238 0.2839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4451 0.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4451 1.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1238 1.4386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3352 2.2273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 1.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7012 0.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 -0.1387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7012 0.8613 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7566 3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6458 3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2391 4.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7663 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7663 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6798 0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6458 -2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7566 -2.2038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1633 -3.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5755 -3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6361 -0.0833 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 0.3234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9135 -0.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6361 1.8059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 0.8613 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 5.5810 -3.8218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9823 -4.8399 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 -1.2589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.1424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 0 0 0 0 4 21 1 0 0 0 0 22 6 1 0 0 0 0 6 5 1 0 0 0 0 22 9 1 0 0 0 0 23 11 1 0 0 0 0 11 10 1 0 0 0 0 10 9 1 0 0 0 0 1 20 1 0 0 0 0 20 19 1 0 0 0 0 19 24 1 0 0 0 0 24 16 1 0 0 0 0 16 15 1 0 0 0 0 15 14 1 0 0 0 0 14 23 1 0 0 0 0 6 7 2 0 0 0 0 9 8 2 0 0 0 0 8 7 1 0 0 0 0 4 3 2 0 0 0 0 1 21 1 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 19 18 2 0 0 0 0 16 17 2 0 0 0 0 18 17 1 0 0 0 0 14 13 2 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 3 26 1 0 0 0 0 2 25 1 0 0 0 0 18 38 1 0 0 0 0 17 35 1 0 0 0 0 13 32 1 0 0 0 0 12 31 1 0 0 0 0 21 39 1 0 0 0 0 22 39 1 0 0 0 0 23 39 1 0 0 0 0 24 39 1 0 0 0 0 26 27 2 0 0 0 0 29 30 2 0 0 0 0 35 36 1 0 0 0 0 32 33 1 0 0 0 0 34 40 1 0 0 0 0 34 41 2 0 0 0 0 33 34 1 0 0 0 0 37 42 1 0 0 0 0 37 43 2 0 0 0 0 36 37 1 0 0 0 0 S SKP 7 ID BMCCPPPR0003 NAME Magnesium protoporphyrin IX FORMULA C34H36MgN4O4 EXACTMASS 588.2586 AVERAGEMASS 588.9792 SMILES n([Mg+2]623)(c15)c(Cc(c8C)n2c(c(CCC(O)=O)8)Cc(c7CCC(O)=O)n3c(c7C)Cc(n64)c(C=C)c(c4C5)C)c(c(C=C)1)C KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C03516 M END