Mol:BMMCBZ1Sa038
From Metabolomics.JP
(Difference between revisions)
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− | Copyright: ARM project http://www.metabolome.jp/ | + | Copyright: ARM project http://www.metabolome.jp/ |
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− | 51 58 2 0 0 0 0 | + | 51 58 2 0 0 0 0 |
− | 52 53 1 0 0 0 0 | + | 52 53 1 0 0 0 0 |
− | 53 54 1 0 0 0 0 | + | 53 54 1 0 0 0 0 |
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− | 23 27 1 1 0 0 0 | + | 23 27 1 1 0 0 0 |
− | 31 30 1 0 0 0 0 | + | 31 30 1 0 0 0 0 |
− | 30 33 1 0 0 0 0 | + | 30 33 1 0 0 0 0 |
− | 30 32 2 0 0 0 0 | + | 30 32 2 0 0 0 0 |
− | 27 30 1 0 0 0 0 | + | 27 30 1 0 0 0 0 |
− | 8 3 2 0 0 0 0 | + | 8 3 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 |
− | 6 5 1 0 0 0 0 | + | 6 5 1 0 0 0 0 |
− | 5 4 2 0 0 0 0 | + | 5 4 2 0 0 0 0 |
− | 4 3 1 0 0 0 0 | + | 4 3 1 0 0 0 0 |
− | 3 9 1 0 0 0 0 | + | 3 9 1 0 0 0 0 |
− | 9 2 1 0 0 0 0 | + | 9 2 1 0 0 0 0 |
− | 1 10 2 0 0 0 0 | + | 1 10 2 0 0 0 0 |
− | 1 55 1 0 0 0 0 | + | 1 55 1 0 0 0 0 |
− | 2 1 1 0 0 0 0 | + | 2 1 1 0 0 0 0 |
− | 55 54 1 0 0 0 0 | + | 55 54 1 0 0 0 0 |
− | S SKP 7 | + | S SKP 7 |
− | ID BMMCBZ1Sa038 | + | ID BMMCBZ1Sa038 |
− | NAME Phenoxy-acetyl-CoA | + | NAME Phenoxy-acetyl-CoA |
− | FORMULA C29H42N7O18P3S | + | FORMULA C29H42N7O18P3S |
− | EXACTMASS 901.1519 | + | EXACTMASS 901.1519 |
− | AVERAGEMASS 901.6674 | + | AVERAGEMASS 901.6674 |
− | SMILES S(C(COc(c4)cccc4)=O)CCNC(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 S(C(COc(c4)cccc4)=O)CCNC(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+C02577 | + | KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C02577 |
M END | M END | ||
− |
Latest revision as of 09:00, 14 March 2009
Copyright: ARM project http://www.metabolome.jp/ 58 61 0 0 1 0 0 0 0 0999 V2000 6.5817 -3.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6036 -3.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9563 -3.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6473 -4.8456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -5.0535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3090 -3.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2872 -3.1514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9344 -4.1024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8907 -4.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9388 -2.5373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.0728 -2.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0728 -1.0373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.9388 -0.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8049 -1.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8049 -2.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.5480 -0.3681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.1413 0.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1467 0.4409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.6709 -2.5373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.4776 1.1840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6855 2.1622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8195 2.6622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.0764 1.9930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.0982 2.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5991 2.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7150 3.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4831 1.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4291 1.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5240 4.2445 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 24.1118 3.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9362 5.0535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3330 4.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4509 1.6657 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 19.2430 0.6876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6588 2.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4728 1.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8037 1.1305 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 18.5468 0.4614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0605 1.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1345 0.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1564 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4872 -0.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2304 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7441 0.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8181 -0.8910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.8400 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1708 -1.4263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1927 -1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5236 -1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5454 -1.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8763 -2.4967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8981 -2.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2290 -3.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2509 -2.8241 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.1271 -1.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.5309 0.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2364 -0.8025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11 16 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 15 16 1 0 0 0 0 15 14 2 0 0 0 0 19 18 1 0 0 0 0 18 17 2 0 0 0 0 17 15 1 0 0 0 0 14 19 1 0 0 0 0 16 20 1 0 0 0 0 24 28 1 6 0 0 0 23 24 1 0 0 0 0 21 28 1 6 0 0 0 23 22 1 0 0 0 0 21 22 1 0 0 0 0 24 25 1 0 0 0 0 25 29 1 0 0 0 0 21 19 1 0 0 0 0 29 34 1 0 0 0 0 34 36 1 0 0 0 0 34 35 2 0 0 0 0 34 37 1 0 0 0 0 41 38 1 0 0 0 0 38 40 2 0 0 0 0 38 39 1 0 0 0 0 41 42 1 0 0 0 0 38 37 1 0 0 0 0 42 43 1 0 0 0 0 43 46 1 0 0 0 0 43 45 1 0 0 0 0 43 44 1 0 0 0 0 46 47 1 0 0 0 0 46 56 1 1 0 0 0 47 57 2 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 58 2 0 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 22 26 1 1 0 0 0 23 27 1 1 0 0 0 31 30 1 0 0 0 0 30 33 1 0 0 0 0 30 32 2 0 0 0 0 27 30 1 0 0 0 0 8 3 2 0 0 0 0 8 7 1 0 0 0 0 7 6 2 0 0 0 0 6 5 1 0 0 0 0 5 4 2 0 0 0 0 4 3 1 0 0 0 0 3 9 1 0 0 0 0 9 2 1 0 0 0 0 1 10 2 0 0 0 0 1 55 1 0 0 0 0 2 1 1 0 0 0 0 55 54 1 0 0 0 0 S SKP 7 ID BMMCBZ1Sa038 NAME Phenoxy-acetyl-CoA FORMULA C29H42N7O18P3S EXACTMASS 901.1519 AVERAGEMASS 901.6674 SMILES S(C(COc(c4)cccc4)=O)CCNC(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+C02577 M END