49 -OEChem-02210611382D 16 15 0 0 0 0 0 0 0999 V2000 4.5981 1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.2500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.2869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.7869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4860 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2460 1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 2 4 1 0 0 0 0 3 9 1 0 0 0 0 4 5 1 0 0 0 0 4 8 2 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 7 16 1 0 0 0 0 M END > 1 > 49 > 3 > 1 > 2 > AAADcQAwYMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAAAAAIAACABA0ACAIAgAACAACQgAAIAAACCAAAAABAAQAAAAAAAAAAABAEAEAAAAAAAAAAAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAA== > 3-methyl-2-oxo-butanoic acid > 3-methyl-2-oxo-butanoic acid > 3-methyl-2-oxo-butanoic acid > 3-methyl-2-oxo-butanoic acid > 3-methyl-2-oxo-butanoic acid > InChI=1/C5H8O3/c1-3(2)4(6)5(7)8/h3H,1-2H3,(H,7,8)/f/h7H > 0.329 > C5H8O3 > 116.115 > CC(C)C(=O)C(=O)O > CC(C)C(=O)C(=O)O > 54.37 > 0 > 8 > 0 > 0 > 0 > 0 > 0 > 1 > 2 > 3441 > 2 > KEGG > C00141 > Is a reactant or product of enzyme EC 1.1.1.84 Is a reactant or product of enzyme EC 1.2.1.25 Is a reactant or product of enzyme EC 1.2.4.4 Is a reactant or product of enzyme EC 1.4.1.8 Is a reactant or product of enzyme EC 1.4.1.9 Is a reactant or product of enzyme EC 2.1.2.11 Is a reactant or product of enzyme EC 2.3.1.- Is a reactant or product of enzyme EC 2.3.3.13 Is a reactant or product of enzyme EC 2.6.1.6 Is a reactant or product of enzyme EC 2.6.1.32 Is a reactant or product of enzyme EC 2.6.1.42 Is a reactant or product of enzyme EC 2.6.1.66 Is a reactant or product of enzyme EC 4.1.2.12 Is a reactant or product of enzyme EC 4.2.1.9 > 2-Keto-3-methylbutyric acid 2-Ketovaline 2-Oxo-3-methylbutanoate 2-Oxoisopentanoate 2-Oxoisovalerate 3-Methyl-2-oxobutanoate 3-Methyl-2-oxobutanoic acid 3-Methyl-2-oxobutyric acid C00141 alpha-Ketovaline > C00141 > 1942796 1942797 3212298 3212299 3212300 7546384 7546385 13786630 13786631 13786632 13786633 13786634 13786635 14719457 14719458 14719459 14719460 14719461 14719462 14719463 14719464 14719465 27065242 27065243 27065246 27065247 30749292 30749293 30749294 30749295 30749296 30749297 34810147 34810148 34810149 34810150 34810151 34810152 34810441 34810442 34810443 34810444 34810445 34810446 34810447 34810448 34810449 34810450 34811474 34811475 34811476 34811477 34811478 39654309 39654310 39654311 39654312 39654313 39654317 39654318 39654319 39654320 39654321 47169247 47169248 47169249 47169250 47169251 47169252 47169253 47169254 47169255 47169256 47169257 47169258 47169259 47169260 47169261 47169262 49259127 49259128 49259445 49259446 49259447 49259448 49259450 49259451 49259452 49259453 56966209 56966210 56967000 56967001 56967002 56967003 56967004 56967005 56967006 56967007 56967008 56967009 > http://www.genome.jp/kegg/kegg2.html > http://www.genome.jp/dbget-bin/www_bget?cpd+C00141 > 49 1 $$$$