http://metabolomics.jp/mediawiki/index.php?action=history&feed=atom&title=Mol%3ABMFYS6ESa002 2026-05-18T16:47:59Z Revision history for this page on the wiki MediaWiki 1.19.1 http://metabolomics.jp/mediawiki/index.php?title=Mol:BMFYS6ESa002&diff=178247&oldid=prev 2009-03-14T00:00:00Z

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<p></p> <p><b>New page</b></p><div>&lt;pre&gt;<br /> <br /> Copyright: ARM project http://www.metabolome.jp/<br /> 56 58 0 0 1 0 0 0 0 0999 V2000<br /> 6.2727 -3.5672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 5.2946 -3.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.6254 -4.1024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 3.6473 -3.8945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.9781 -4.6377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 2.0000 -4.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 6.5817 -4.5183 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 4.9344 -5.0535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 23.6298 -2.5373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br /> 22.7638 -2.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 22.7638 -1.0373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br /> 23.6298 -0.5373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 24.4958 -1.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 24.4958 -2.0373 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 25.2390 -0.3681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br /> 24.8322 0.5454 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 23.8377 0.4409 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br /> 25.3619 -2.5373 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br /> 23.1686 1.1840 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 23.3765 2.1622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 22.5105 2.6622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 21.7673 1.9930 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0<br /> 20.7892 2.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 24.2901 2.5689 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 22.4060 3.6567 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 22.1741 1.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 20.1201 1.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 23.2150 4.2445 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0<br /> 23.8028 3.4355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 22.6272 5.0535 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 24.0240 4.8323 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 19.1419 1.6657 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0<br /> 18.9340 0.6876 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 19.3498 2.6439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 18.1638 1.8736 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 17.4946 1.1305 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0<br /> 18.2378 0.4614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 16.7515 1.7996 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 16.8255 0.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 15.8474 0.5953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 15.1782 -0.1479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 15.9214 -0.8170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 14.4351 0.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 14.5091 -0.8910 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0<br /> 13.5309 -0.6831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 12.8618 -1.4263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br /> 11.8837 -1.2184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 11.2145 -1.9615 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 10.2364 -1.7536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 9.5673 -2.4967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0<br /> 8.5891 -2.2888 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 7.9200 -3.0320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0<br /> 6.9418 -2.8241 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0<br /> 14.8181 -1.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 13.2219 0.2679 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 9.9274 -0.8025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0<br /> 6 5 1 0 0 0 0<br /> 5 4 1 0 0 0 0<br /> 4 3 1 0 0 0 0<br /> 3 2 1 0 0 0 0<br /> 1 7 2 0 0 0 0<br /> 1 53 1 0 0 0 0<br /> 2 1 1 0 0 0 0<br /> 9 14 2 0 0 0 0<br /> 9 10 1 0 0 0 0<br /> 10 11 2 0 0 0 0<br /> 11 12 1 0 0 0 0<br /> 13 14 1 0 0 0 0<br /> 13 12 2 0 0 0 0<br /> 17 16 1 0 0 0 0<br /> 16 15 2 0 0 0 0<br /> 15 13 1 0 0 0 0<br /> 12 17 1 0 0 0 0<br /> 14 18 1 0 0 0 0<br /> 22 26 1 6 0 0 0<br /> 22 21 1 0 0 0 0<br /> 19 26 1 6 0 0 0<br /> 21 20 1 0 0 0 0<br /> 19 20 1 0 0 0 0<br /> 22 23 1 0 0 0 0<br /> 23 27 1 0 0 0 0<br /> 19 17 1 0 0 0 0<br /> 27 32 1 0 0 0 0<br /> 32 34 1 0 0 0 0<br /> 32 33 2 0 0 0 0<br /> 32 35 1 0 0 0 0<br /> 39 36 1 0 0 0 0<br /> 36 38 2 0 0 0 0<br /> 36 37 1 0 0 0 0<br /> 39 40 1 0 0 0 0<br /> 36 35 1 0 0 0 0<br /> 40 41 1 0 0 0 0<br /> 41 44 1 0 0 0 0<br /> 41 43 1 0 0 0 0<br /> 41 42 1 0 0 0 0<br /> 44 45 1 0 0 0 0<br /> 44 54 1 1 0 0 0<br /> 45 55 2 0 0 0 0<br /> 45 46 1 0 0 0 0<br /> 46 47 1 0 0 0 0<br /> 47 48 1 0 0 0 0<br /> 48 49 1 0 0 0 0<br /> 49 50 1 0 0 0 0<br /> 49 56 2 0 0 0 0<br /> 50 51 1 0 0 0 0<br /> 51 52 1 0 0 0 0<br /> 52 53 1 0 0 0 0<br /> 20 24 1 1 0 0 0<br /> 21 25 1 1 0 0 0<br /> 29 28 1 0 0 0 0<br /> 28 31 1 0 0 0 0<br /> 28 30 2 0 0 0 0<br /> 25 28 1 0 0 0 0<br /> 3 8 2 0 0 0 0<br /> S SKP 7<br /> ID BMFYS6ESa002<br /> NAME 3-Oxo-hexanoyl-CoA<br /> FORMULA C27H44N7O18P3S<br /> EXACTMASS 879.1676<br /> AVERAGEMASS 879.6619<br /> SMILES C([C@H](C(NCCC(NCCSC(CC(CCC)=O)=O)=O)=O)O)(C)(C)COP(OP(OC[C@H]([C@@H](OP(O)(O)=O)3)O[C@H]([C@@H]3O)n(c21)cnc(c(N)ncn2)1)(O)=O)(O)=O<br /> KEGG http://www.genome.jp/dbget-bin/www_bget?compound+C05269<br /> M END<br /> &lt;/pre&gt;</div>

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