Mol:BMCCPPPR0006
From Metabolomics.JP
(Difference between revisions)
| Line 1: | Line 1: | ||
| − | + | ||
| − | + | ||
| − | 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 |
| − | 3.8732 1.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8732 1.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3228 2.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3228 2.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1800 3.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1800 3.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2602 3.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2602 3.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2410 3.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2410 3.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2218 3.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2218 3.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3020 3.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3020 3.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.1592 2.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1592 2.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6088 1.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6088 1.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.8039 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.8039 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.6088 -0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.6088 -0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.1592 -1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.1592 -1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.3020 -2.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.3020 -2.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.2218 -1.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.2218 -1.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.2410 -1.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2410 -1.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 5.2602 -1.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 5.2602 -1.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.1800 -2.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.1800 -2.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.3228 -1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.3228 -1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.8732 -0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.8732 -0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6781 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6781 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4287 2.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4287 2.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0533 2.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0533 2.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.0533 -1.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.0533 -1.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.4287 -1.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.4287 -1.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3351 3.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3351 3.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0236 4.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0236 4.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0900 5.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0900 5.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4584 4.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4584 4.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.1469 3.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.1469 3.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.5053 3.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.5053 3.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.1469 -1.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.1469 -1.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.4584 -3.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.4584 -3.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.3920 -3.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.3920 -3.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5484 -4.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5484 -4.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 4.0236 -3.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 4.0236 -3.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.0900 -3.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.0900 -3.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.9336 -4.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9336 -4.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.3351 -1.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.3351 -1.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.7713 -5.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.7713 -5.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.4820 -4.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.4820 -4.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.7107 -5.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.7107 -5.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -4.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -4.8018 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 |
| − | 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 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 |
| − | 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 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMCCPPPR0006 | + | ID BMCCPPPR0006 |
| − | NAME Protoporphyrinogen IX | + | NAME Protoporphyrinogen IX |
| − | FORMULA C34H40N4O4 | + | FORMULA C34H40N4O4 |
| − | EXACTMASS 568.3049 | + | EXACTMASS 568.3049 |
| − | AVERAGEMASS 568.7059 | + | AVERAGEMASS 568.7059 |
| − | SMILES c(C)(c14)c(c(Cc(n2)c(CCC(O)=O)c(c2Cc(c5C=C)nc(c5C)Cc(n3)c(C=C)c(C)c(C4)3)C)n1)CCC(O)=O | + | SMILES c(C)(c14)c(c(Cc(n2)c(CCC(O)=O)c(c2Cc(c5C=C)nc(c5C)Cc(n3)c(C=C)c(C)c(C4)3)C)n1)CCC(O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01079 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01079 |
M END | M END | ||
| − | |||
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
3.8732 1.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3228 2.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1800 3.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2602 3.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2410 3.3714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2218 3.1763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3020 3.7267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1592 2.8695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6088 1.7893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8039 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6088 -0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1592 -1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3020 -2.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2218 -1.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2410 -1.7544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2602 -1.5593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1800 -2.1097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3228 -1.2525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8732 -0.1723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6781 0.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4287 2.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0533 2.6208 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0533 -1.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
4.4287 -1.0038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
2.3351 3.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0236 4.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0900 5.0728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4584 4.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1469 3.0259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5053 3.9595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1469 -1.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4584 -3.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3920 -3.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5484 -4.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0236 -3.0974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0900 -3.4558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.9336 -4.4434 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.3351 -1.4089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7713 -5.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
10.4820 -4.8018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7107 -5.0728 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.8018 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
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 39 1 0 0 0 0
34 40 2 0 0 0 0
33 34 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
S SKP 7
ID BMCCPPPR0006
NAME Protoporphyrinogen IX
FORMULA C34H40N4O4
EXACTMASS 568.3049
AVERAGEMASS 568.7059
SMILES c(C)(c14)c(c(Cc(n2)c(CCC(O)=O)c(c2Cc(c5C=C)nc(c5C)Cc(n3)c(C=C)c(C)c(C4)3)C)n1)CCC(O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01079
M END
