Mol:BMCCPPHM0008
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 |
| − | 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 |
| − | 9.9573 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 |
| − | 9.9573 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 |
| − | 9.2785 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 |
| − | 9.0672 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 8.7012 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 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 11.6798 1.3992 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.6798 1.3992 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 |
| − | 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 |
| − | 7.1633 4.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.1633 4.8399 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 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 |
| − | 7.7012 0.8613 0.0000 Fe 0 2 0 0 0 0 0 0 0 0 0 0 | + | 7.7012 0.8613 0.0000 Fe 0 2 0 0 0 0 0 0 0 0 0 0 |
| − | 4 5 1 0 0 0 0 | + | 4 5 1 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 6 22 1 0 0 0 0 | + | 6 22 1 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 |
| − | 7 6 2 0 0 0 0 | + | 7 6 2 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 |
| − | 11 23 1 0 0 0 0 | + | 11 23 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 |
| − | 23 14 1 0 0 0 0 | + | 23 14 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 |
| − | 24 19 1 0 0 0 0 | + | 24 19 1 0 0 0 0 |
| − | 19 18 2 0 0 0 0 | + | 19 18 2 0 0 0 0 |
| − | 18 17 1 0 0 0 0 | + | 18 17 1 0 0 0 0 |
| − | 17 16 2 0 0 0 0 | + | 17 16 2 0 0 0 0 |
| − | 21 4 1 0 0 0 0 | + | 21 4 1 0 0 0 0 |
| − | 4 3 2 0 0 0 0 | + | 4 3 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 21 1 0 0 0 0 | + | 1 21 1 0 0 0 0 |
| − | 1 20 1 0 0 0 0 | + | 1 20 1 0 0 0 0 |
| − | 19 20 1 0 0 0 0 | + | 19 20 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 |
| − | 35 36 1 0 0 0 0 | + | 35 36 1 0 0 0 0 |
| − | 37 39 1 0 0 0 0 | + | 37 39 1 0 0 0 0 |
| − | 37 40 2 0 0 0 0 | + | 37 40 2 0 0 0 0 |
| − | 36 37 1 0 0 0 0 | + | 36 37 1 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 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 |
| − | 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 |
| − | 30 29 2 0 0 0 0 | + | 30 29 2 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 |
| − | 21 43 1 0 0 0 0 | + | 21 43 1 0 0 0 0 |
| − | 23 43 1 0 0 0 0 | + | 23 43 1 0 0 0 0 |
| − | 22 9 1 0 0 0 0 | + | 22 9 1 0 0 0 0 |
| − | 24 16 1 0 0 0 0 | + | 24 16 1 0 0 0 0 |
| − | 43 24 1 0 0 0 0 | + | 43 24 1 0 0 0 0 |
| − | 43 22 1 0 0 0 0 | + | 43 22 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPPHM0008 | + | ID BMCCPPHM0008 |
| − | NAME Protoheme | + | NAME Protoheme |
| − | FORMULA C34H36FeN4O4 | + | FORMULA C34H36FeN4O4 |
| − | EXACTMASS 620.2085 | + | EXACTMASS 620.2085 |
| − | AVERAGEMASS 620.5192 | + | AVERAGEMASS 620.5192 |
| − | SMILES C(c67)c(c(C)8)n(c1c8CCC(O)=O)[Fe+2](n57)(n34)n(c(Cc(c(c(C=C)c(Cc(c(c(C=C)6)C)5)4)C)3)2)c(c(c(C)2)CCC(O)=O)C1 | + | SMILES C(c67)c(c(C)8)n(c1c8CCC(O)=O)[Fe+2](n57)(n34)n(c(Cc(c(c(C=C)c(Cc(c(c(C=C)6)C)5)4)C)3)2)c(c(c(C)2)CCC(O)=O)C1 |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00032 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00032 |
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
9.2785 0.2839 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 1.2181 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
9.0672 2.2273 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
8.0580 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
7.1238 2.4386 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
6.1238 1.4386 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 0.5045 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
6.3352 -0.5047 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
7.3444 -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
8.2785 -0.7161 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
8.7012 0.8613 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
6.7012 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
10.7663 -0.0833 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
11.6798 1.3992 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
6.7566 3.9264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1633 4.8399 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 -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
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
8.6458 -2.2038 0.0000 C 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
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
7.7012 0.8613 0.0000 Fe 0 2 0 0 0 0 0 0 0 0 0 0
4 5 1 0 0 0 0
6 5 1 0 0 0 0
6 22 1 0 0 0 0
9 8 2 0 0 0 0
8 7 1 0 0 0 0
7 6 2 0 0 0 0
11 10 1 0 0 0 0
10 9 1 0 0 0 0
11 23 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
23 14 1 0 0 0 0
16 15 1 0 0 0 0
15 14 1 0 0 0 0
24 19 1 0 0 0 0
19 18 2 0 0 0 0
18 17 1 0 0 0 0
17 16 2 0 0 0 0
21 4 1 0 0 0 0
4 3 2 0 0 0 0
3 2 1 0 0 0 0
2 1 2 0 0 0 0
1 21 1 0 0 0 0
1 20 1 0 0 0 0
19 20 1 0 0 0 0
18 38 1 0 0 0 0
17 35 1 0 0 0 0
35 36 1 0 0 0 0
37 39 1 0 0 0 0
37 40 2 0 0 0 0
36 37 1 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 41 1 0 0 0 0
34 42 2 0 0 0 0
33 34 1 0 0 0 0
7 28 1 0 0 0 0
8 29 1 0 0 0 0
30 29 2 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
21 43 1 0 0 0 0
23 43 1 0 0 0 0
22 9 1 0 0 0 0
24 16 1 0 0 0 0
43 24 1 0 0 0 0
43 22 1 0 0 0 0
S SKP 7
ID BMCCPPHM0008
NAME Protoheme
FORMULA C34H36FeN4O4
EXACTMASS 620.2085
AVERAGEMASS 620.5192
SMILES C(c67)c(c(C)8)n(c1c8CCC(O)=O)[Fe+2](n57)(n34)n(c(Cc(c(c(C=C)c(Cc(c(c(C=C)6)C)5)4)C)3)2)c(c(c(C)2)CCC(O)=O)C1
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C00032
M END
