469 -OEChem-02040815592D 22 21 0 1 0 0 0 0 0999 V2000 6.3301 1.4050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.9050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.9050 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4050 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.7321 -1.0950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.5950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 -0.1776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 0.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5200 0.4876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1215 -0.2027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -1.6776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -0.9873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 1.5950 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.5250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 1.7150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.9050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 21 1 0 0 0 0 2 10 2 0 0 0 0 3 11 1 0 0 0 0 3 22 1 0 0 0 0 4 11 2 0 0 0 0 5 8 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 7 15 1 0 0 0 0 8 10 1 0 0 0 0 8 16 1 0 0 0 0 9 11 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 M END > 1 > 469 > 1 > 157 > 5 > 3 > 5 > AAADccBiOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAACCjBgAQACABAAgAIAACQCAAAAAAAAAAAAIGAAAACABIAgAAAQAAEEAAAAAGYWQEQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > 2-aminohexanedioic acid > 2-aminohexanedioic acid > 2-aminohexanedioic acid > 2-aminohexanedioic acid > 2-aminoadipic acid > InChI=1/C6H11NO4/c7-4(6(10)11)2-1-3-5(8)9/h4H,1-3,7H2,(H,8,9)(H,10,11)/f/h8,10H > -3 > 161.068808 > C6H11NO4 > 161.15584 > C(CC(C(=O)O)N)CC(=O)O > C(CC(C(=O)O)N)CC(=O)O > 101 > 161.068808 > 0 > 11 > 0 > 1 > 0 > 0 > 0 > 1 > 1 > 17425331 > 1 > ChEBI > CHEBI:37024 > 2-aminoadipic acid 2-aminohexanedioic acid 542-32-5 CHEBI:37024 alpha-aminoadipic acid > 542-32-5 > CHEBI:37024 > http://www.ebi.ac.uk/chebi/ > http://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:37024 > 469 1 > 8 5 3 $$$$