65065 -OEChem-02040816032D 21 20 0 1 0 0 0 0 0999 V2000 2.5369 0.6550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -1.8450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 2.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -0.3450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.6550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2690 -0.3450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.8450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 0.6550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 1.2750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4810 -0.9276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8796 -0.2373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 1.7750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1771 0.6181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4040 1.4650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5571 1.6919 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.9650 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1550 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 20 1 0 0 0 0 2 10 1 0 0 0 0 2 21 1 0 0 0 0 3 9 2 0 0 0 0 4 10 2 0 0 0 0 5 11 2 0 0 0 0 7 6 1 1 0 0 0 6 11 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 11 12 1 0 0 0 0 12 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 M END > 1 > 65065 > 1 > 212 > 5 > 3 > 4 > AAADccBiOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQCCALAAgAIAAGQGAAAAAAAAAAAAIGIAAACABgAACAEQAAGFgCQAABDAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (2S)-2-acetamidobutanedioic acid > (2S)-2-acetamidobutanedioic acid > (2S)-2-acetamidobutanedioic acid > (2S)-2-acetamidobutanedioic acid > (2S)-2-acetamidosuccinic acid > InChI=1/C6H9NO5/c1-3(8)7-4(6(11)12)2-5(9)10/h4H,2H2,1H3,(H,7,8)(H,9,10)(H,11,12)/t4-/m0/s1/f/h7,9,11H > -3.4 > 175.048072 > C6H9NO5 > 175.13936 > CC(=O)NC(CC(=O)O)C(=O)O > CC(=O)N[C@@H](CC(=O)O)C(=O)O > 104 > 175.048072 > 0 > 12 > 1 > 0 > 0 > 0 > 0 > 1 > 2 > 4284 > 3 > KEGG > C01042 > Is a reactant or product of enzyme EC 2.3.1.17 Is a reactant or product of enzyme EC 3.5.1.15 > C01042 N-Acetyl-L-aspartate > C01042 > 110590413 110590414 114794705 114794706 > http://www.genome.jp/kegg/kegg2.html > http://www.genome.jp/dbget-bin/www_bget?cpd+C01042 > 65065 1 > 7 6 5 $$$$