Mol:BMFYS7CAa004
From Metabolomics.JP
(Difference between revisions)
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| − | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
| − | 58 60 0 0 1 0 0 0 0 0999 V2000 | + | 58 60 0 0 1 0 0 0 0 0999 V2000 |
| − | 2.9781 -4.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.9781 -4.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.6473 -3.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.6473 -3.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 6.2727 -3.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.2727 -3.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 6.9418 -2.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 6.9418 -2.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 7.9200 -3.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 7.9200 -3.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 2.0000 -4.4298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 2.0000 -4.4298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 3.2872 -5.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 3.2872 -5.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.2290 -3.9830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.2290 -3.9830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 25.2771 -2.0020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 25.2771 -2.0020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 24.4111 -1.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 24.4111 -1.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 24.4111 -0.5020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 24.4111 -0.5020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 25.2771 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 25.2771 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 26.1431 -0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 26.1431 -0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 26.1431 -1.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 26.1431 -1.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 26.8863 0.1671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 26.8863 0.1671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 26.4795 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 26.4795 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 25.4850 0.9761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 25.4850 0.9761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 27.0091 -2.0020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 27.0091 -2.0020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 24.8159 1.7193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 24.8159 1.7193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 25.0238 2.6974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 25.0238 2.6974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 24.1578 3.1974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 24.1578 3.1974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 23.4146 2.5283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 | + | 23.4146 2.5283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 |
| − | 22.4365 2.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 22.4365 2.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 25.4500 3.9707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 25.4500 3.9707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 24.2745 5.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 24.2745 5.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 25.6713 5.3675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 25.6713 5.3675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 20.7892 2.2010 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.7892 2.2010 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 20.5813 1.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.5813 1.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 20.9971 3.1791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 20.9971 3.1791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 19.8110 2.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.8110 2.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 19.1419 1.6657 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.1419 1.6657 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 19.8851 0.9966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 19.8851 0.9966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 17.5686 -0.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 17.5686 -0.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 16.0824 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.0824 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 15.1782 -0.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 15.1782 -0.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.5091 -0.8910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.5091 -0.8910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 13.5309 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 13.5309 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 12.8618 -1.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 12.8618 -1.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.8837 -1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.8837 -1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.2145 -1.9615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.2145 -1.9615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 10.2364 -1.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 10.2364 -1.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 9.5673 -2.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 | + | 9.5673 -2.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 8.5891 -2.2888 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 | + | 8.5891 -2.2888 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 16.4654 -1.3069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 16.4654 -1.3069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 14.8692 0.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 14.8692 0.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
| − | 11.5747 -0.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 | + | 11.5747 -0.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 |
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| − | 43 45 1 0 0 0 0 | + | 43 45 1 0 0 0 0 |
| − | 23 22 1 0 0 0 0 | + | 23 22 1 0 0 0 0 |
| − | 46 56 1 1 0 0 0 | + | 46 56 1 1 0 0 0 |
| − | 21 22 1 0 0 0 0 | + | 21 22 1 0 0 0 0 |
| − | 47 57 2 0 0 0 0 | + | 47 57 2 0 0 0 0 |
| − | 24 25 1 0 0 0 0 | + | 24 25 1 0 0 0 0 |
| − | 51 58 2 0 0 0 0 | + | 51 58 2 0 0 0 0 |
| − | 25 29 1 0 0 0 0 | + | 25 29 1 0 0 0 0 |
| − | 55 7 1 0 0 0 0 | + | 55 7 1 0 0 0 0 |
| − | 29 34 1 0 0 0 0 | + | 29 34 1 0 0 0 0 |
| − | 7 6 1 0 0 0 0 | + | 7 6 1 0 0 0 0 |
| − | 15 14 2 0 0 0 0 | + | 15 14 2 0 0 0 0 |
| − | 14 13 1 0 0 0 0 | + | 14 13 1 0 0 0 0 |
| − | 13 12 2 0 0 0 0 | + | 13 12 2 0 0 0 0 |
| − | 7 10 2 0 0 0 0 | + | 7 10 2 0 0 0 0 |
| − | 12 11 1 0 0 0 0 | + | 12 11 1 0 0 0 0 |
| − | 11 16 2 0 0 0 0 | + | 11 16 2 0 0 0 0 |
| − | 16 20 1 0 0 0 0 | + | 16 20 1 0 0 0 0 |
| − | 30 32 2 0 0 0 0 | + | 30 32 2 0 0 0 0 |
| − | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
| − | 16 15 1 0 0 0 0 | + | 16 15 1 0 0 0 0 |
| − | 5 4 1 0 0 0 0 | + | 5 4 1 0 0 0 0 |
| − | 34 36 1 0 0 0 0 | + | 34 36 1 0 0 0 0 |
| − | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
| − | 37 38 1 0 0 0 0 | + | 37 38 1 0 0 0 0 |
| − | 3 2 1 0 0 0 0 | + | 3 2 1 0 0 0 0 |
| − | 34 35 2 0 0 0 0 | + | 34 35 2 0 0 0 0 |
| − | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
| − | 38 39 2 0 0 0 0 | + | 38 39 2 0 0 0 0 |
| − | 1 9 2 0 0 0 0 | + | 1 9 2 0 0 0 0 |
| − | 34 37 1 0 0 0 0 | + | 34 37 1 0 0 0 0 |
| − | 1 8 1 0 0 0 0 | + | 1 8 1 0 0 0 0 |
| − | S SKP 7 | + | S SKP 7 |
| − | ID BMFYS7CAa004 | + | ID BMFYS7CAa004 |
| − | NAME Pimeloyl-CoA | + | NAME Pimeloyl-CoA |
| − | FORMULA C28H46N7O19P3S | + | FORMULA C28H46N7O19P3S |
| − | EXACTMASS 909.1782 | + | EXACTMASS 909.1782 |
| − | AVERAGEMASS 909.6879 | + | AVERAGEMASS 909.6879 |
| − | SMILES C(CCCCCC(O)=O)(=O)SCCNC(CCNC(=O)[C@@H](C(C)(C)COP(OP(OC[C@H]([C@@H](OP(O)(O)=O)1)O[C@@H](n(c23)cnc2c(ncn3)N)[C@@H]1O)(O)=O)(O)=O)O)=O | + | SMILES C(CCCCCC(O)=O)(=O)SCCNC(CCNC(=O)[C@@H](C(C)(C)COP(OP(OC[C@H]([C@@H](OP(O)(O)=O)1)O[C@@H](n(c23)cnc2c(ncn3)N)[C@@H]1O)(O)=O)(O)=O)O)=O |
| − | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01063 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01063 |
M END | M END | ||
| − | |||
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/
58 60 0 0 1 0 0 0 0 0999 V2000
2.9781 -4.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6473 -3.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6254 -4.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2946 -3.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2727 -3.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9418 -2.8241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9200 -3.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0000 -4.4298 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2872 -5.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2290 -3.9830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
25.2771 -2.0020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
24.4111 -1.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
24.4111 -0.5020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
25.2771 -0.0020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.1431 -0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.1431 -1.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
26.8863 0.1671 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
26.4795 1.0806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.4850 0.9761 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
27.0091 -2.0020 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
24.8159 1.7193 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
25.0238 2.6974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
24.1578 3.1974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
23.4146 2.5283 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0
22.4365 2.7362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
25.9373 3.1041 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
24.0532 4.1919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
23.8214 1.6147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
21.7673 1.9930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
24.8622 4.7797 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
25.4500 3.9707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
24.2745 5.5887 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
25.6713 5.3675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.7892 2.2010 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
20.5813 1.2228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
20.9971 3.1791 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.8110 2.4089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
19.1419 1.6657 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0
19.8851 0.9966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.3988 2.3348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
18.4728 0.9226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
17.4946 1.1305 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.8255 0.3873 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
17.5686 -0.2818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.0824 1.0565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
16.1564 -0.3558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0
15.1782 -0.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14.5091 -0.8910 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
13.5309 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8618 -1.4263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8837 -1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2145 -1.9615 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2364 -1.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5673 -2.4967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5891 -2.2888 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0
16.4654 -1.3069 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
14.8692 0.8032 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
11.5747 -0.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0
38 40 1 0 0 0 0
22 26 1 1 0 0 0
38 41 1 0 0 0 0
23 27 1 1 0 0 0
41 42 1 0 0 0 0
42 43 1 0 0 0 0
30 31 1 0 0 0 0
43 46 1 0 0 0 0
30 33 1 0 0 0 0
46 47 1 0 0 0 0
27 30 1 0 0 0 0
47 48 1 0 0 0 0
48 49 1 0 0 0 0
21 19 1 0 0 0 0
49 50 1 0 0 0 0
24 28 1 6 0 0 0
50 51 1 0 0 0 0
23 24 1 0 0 0 0
51 52 1 0 0 0 0
19 14 1 0 0 0 0
52 53 1 0 0 0 0
15 17 1 0 0 0 0
53 54 1 0 0 0 0
17 18 2 0 0 0 0
54 55 1 0 0 0 0
18 19 1 0 0 0 0
43 44 1 0 0 0 0
21 28 1 6 0 0 0
43 45 1 0 0 0 0
23 22 1 0 0 0 0
46 56 1 1 0 0 0
21 22 1 0 0 0 0
47 57 2 0 0 0 0
24 25 1 0 0 0 0
51 58 2 0 0 0 0
25 29 1 0 0 0 0
55 7 1 0 0 0 0
29 34 1 0 0 0 0
7 6 1 0 0 0 0
15 14 2 0 0 0 0
14 13 1 0 0 0 0
13 12 2 0 0 0 0
7 10 2 0 0 0 0
12 11 1 0 0 0 0
11 16 2 0 0 0 0
16 20 1 0 0 0 0
30 32 2 0 0 0 0
6 5 1 0 0 0 0
16 15 1 0 0 0 0
5 4 1 0 0 0 0
34 36 1 0 0 0 0
4 3 1 0 0 0 0
37 38 1 0 0 0 0
3 2 1 0 0 0 0
34 35 2 0 0 0 0
2 1 1 0 0 0 0
38 39 2 0 0 0 0
1 9 2 0 0 0 0
34 37 1 0 0 0 0
1 8 1 0 0 0 0
S SKP 7
ID BMFYS7CAa004
NAME Pimeloyl-CoA
FORMULA C28H46N7O19P3S
EXACTMASS 909.1782
AVERAGEMASS 909.6879
SMILES C(CCCCCC(O)=O)(=O)SCCNC(CCNC(=O)[C@@H](C(C)(C)COP(OP(OC[C@H]([C@@H](OP(O)(O)=O)1)O[C@@H](n(c23)cnc2c(ncn3)N)[C@@H]1O)(O)=O)(O)=O)O)=O
KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C01063
M END
