Mol:BMCCPPPR0004
From Metabolomics.JP
(Difference between revisions)
Line 1: | Line 1: | ||
− | + | ||
− | + | ||
− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
− | 44 51 0 0 1 0 0 0 0 0999 V2000 | + | 44 51 0 0 1 0 0 0 0 0999 V2000 |
− | 7.1238 2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1238 2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.3444 3.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.3444 3.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.0580 3.5219 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 8.0580 3.5219 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 8.2785 2.8431 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 8.2785 2.8431 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 9.0672 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0672 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.2785 1.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2785 1.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.9573 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9573 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.9573 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.9573 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.2785 0.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.2785 0.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 9.0672 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.0672 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.2785 -0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2785 -0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.0580 -0.9903 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 8.0580 -0.9903 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 7.3444 -0.9903 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 | + | 7.3444 -0.9903 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 |
− | 7.1238 -0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1238 -0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3352 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3352 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.1238 0.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1238 0.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4451 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4451 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.4451 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.4451 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.1238 1.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.1238 1.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3352 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3352 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.7012 2.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7012 2.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.7012 1.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7012 1.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.7012 0.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.7012 0.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.7012 1.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7012 1.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.7566 4.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7566 4.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.6458 4.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6458 4.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.2391 5.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2391 5.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.7663 2.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.7663 2.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 10.7663 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.7663 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 11.6798 0.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6798 0.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 8.6458 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6458 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.7566 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.7566 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.1633 -2.7128 0.0000 C 0 2 0 0 0 0 0 0 0 0 0 0 | + | 7.1633 -2.7128 0.0000 C 0 2 0 0 0 0 0 0 0 0 0 0 |
− | 6.5755 -3.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.5755 -3.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.6361 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6361 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.7226 0.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7226 0.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.9135 0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9135 0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4.6361 2.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.6361 2.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 6.3945 -5.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.3945 -5.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 7.7012 1.2658 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 | + | 7.7012 1.2658 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 |
− | 6.9823 -4.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9823 -4.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 5.5810 -3.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.5810 -3.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 3.0181 -0.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0181 -0.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 2.0000 0.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 0.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
− | 4 5 1 4 0 0 0 | + | 4 5 1 4 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 2 0 0 0 0 | + | 6 5 2 0 0 0 0 |
− | 22 9 2 0 0 0 0 | + | 22 9 2 0 0 0 0 |
− | 23 11 1 0 0 0 0 | + | 23 11 1 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 |
− | 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 24 1 0 0 0 0 | + | 19 24 1 0 0 0 0 |
− | 24 16 2 0 0 0 0 | + | 24 16 2 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 23 1 0 0 0 0 | + | 14 23 1 0 0 0 0 |
− | 6 7 1 0 0 0 0 | + | 6 7 1 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 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 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 1 0 0 0 0 | + | 19 18 1 0 0 0 0 |
− | 16 17 1 0 0 0 0 | + | 16 17 1 0 0 0 0 |
− | 18 17 2 0 0 0 0 | + | 18 17 2 0 0 0 0 |
− | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
− | 11 12 1 0 0 0 0 | + | 11 12 1 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 4 0 0 0 | + | 3 26 1 4 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 4 0 0 0 | + | 13 32 1 4 0 0 0 |
− | 12 31 1 4 0 0 0 | + | 12 31 1 4 0 0 0 |
− | 21 40 1 0 0 0 0 | + | 21 40 1 0 0 0 0 |
− | 22 40 1 0 0 0 0 | + | 22 40 1 0 0 0 0 |
− | 23 40 1 0 0 0 0 | + | 23 40 1 0 0 0 0 |
− | 24 40 1 0 0 0 0 | + | 24 40 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 41 1 0 0 0 0 | + | 34 41 1 0 0 0 0 |
− | 34 42 2 0 0 0 0 | + | 34 42 2 0 0 0 0 |
− | 33 34 1 0 0 0 0 | + | 33 34 1 0 0 0 0 |
− | 37 43 1 0 0 0 0 | + | 37 43 1 0 0 0 0 |
− | 37 44 2 0 0 0 0 | + | 37 44 2 0 0 0 0 |
− | 36 37 1 0 0 0 0 | + | 36 37 1 0 0 0 0 |
− | 41 39 1 0 0 0 0 | + | 41 39 1 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMCCPPPR0004 | + | ID BMCCPPPR0004 |
− | NAME Magnesium protoporphyrin monomethyl ester | + | NAME Magnesium protoporphyrin monomethyl ester |
− | FORMULA C35H36MgN4O4 | + | FORMULA C35H36MgN4O4 |
− | EXACTMASS 600.2586 | + | EXACTMASS 600.2586 |
− | AVERAGEMASS 600.9899 | + | AVERAGEMASS 600.9899 |
− | SMILES CC(=C8C=C)C(=C6)N(=C82)[Mg+2](N4=3)(N75)N(C1=CC3C(CCC(O)=O)=C(C)C4=CC5=C(C(C=C)C67)C)C(=C2)C(C1C[C+2]C(=O)OC)C | + | SMILES CC(=C8C=C)C(=C6)N(=C82)[Mg+2](N4=3)(N75)N(C1=CC3C(CCC(O)=O)=C(C)C4=CC5=C(C(C=C)C67)C)C(=C2)C(C1C[C+2]C(=O)OC)C |
− | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04536 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04536 |
M END | M END | ||
− |
Revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 44 51 0 0 1 0 0 0 0 0999 V2000 7.1238 2.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3444 3.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0580 3.5219 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.2785 2.8431 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.0672 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2785 1.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9573 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9573 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2785 0.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0672 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2785 -0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0580 -0.9903 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.3444 -0.9903 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 7.1238 -0.3116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3352 -0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1238 0.6884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4451 0.9090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4451 1.6226 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1238 1.8431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3352 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 2.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7012 1.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 0.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7012 1.2658 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7566 4.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6458 4.3309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2391 5.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7663 2.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7663 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6798 0.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6458 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7566 -1.7993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1633 -2.7128 0.0000 C 0 2 0 0 0 0 0 0 0 0 0 0 6.5755 -3.5219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6361 0.3212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 0.7279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9135 0.1401 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6361 2.2104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3945 -5.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7012 1.2658 0.0000 Mg 0 2 0 0 0 0 0 0 0 0 0 0 6.9823 -4.4354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5810 -3.4173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 -0.8544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4 5 1 4 0 0 0 4 21 1 0 0 0 0 22 6 1 0 0 0 0 6 5 2 0 0 0 0 22 9 2 0 0 0 0 23 11 1 0 0 0 0 11 10 2 0 0 0 0 10 9 1 0 0 0 0 1 20 1 0 0 0 0 20 19 2 0 0 0 0 19 24 1 0 0 0 0 24 16 2 0 0 0 0 16 15 1 0 0 0 0 15 14 2 0 0 0 0 14 23 1 0 0 0 0 6 7 1 0 0 0 0 9 8 1 0 0 0 0 8 7 2 0 0 0 0 4 3 1 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 1 0 0 0 0 16 17 1 0 0 0 0 18 17 2 0 0 0 0 14 13 1 0 0 0 0 11 12 1 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 4 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 4 0 0 0 12 31 1 4 0 0 0 21 40 1 0 0 0 0 22 40 1 0 0 0 0 23 40 1 0 0 0 0 24 40 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 41 1 0 0 0 0 34 42 2 0 0 0 0 33 34 1 0 0 0 0 37 43 1 0 0 0 0 37 44 2 0 0 0 0 36 37 1 0 0 0 0 41 39 1 0 0 0 0 S SKP 7 ID BMCCPPPR0004 NAME Magnesium protoporphyrin monomethyl ester FORMULA C35H36MgN4O4 EXACTMASS 600.2586 AVERAGEMASS 600.9899 SMILES CC(=C8C=C)C(=C6)N(=C82)[Mg+2](N4=3)(N75)N(C1=CC3C(CCC(O)=O)=C(C)C4=CC5=C(C(C=C)C67)C)C(=C2)C(C1C[C+2]C(=O)OC)C KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C04536 M END