1549100 -OEChem-10051720183D 27 26 0 1 0 0 0 0 0999 V2000 -2.6019 1.4345 -0.8927 O 0 5 0 0 0 0 0 0 0 0 0 0 3.6584 1.1836 0.6336 O 0 5 0 0 0 0 0 0 0 0 0 0 -2.6413 1.4682 1.3917 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2433 1.3739 -1.1453 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7320 -1.2515 -0.2984 N 0 3 0 0 0 0 0 0 0 0 0 0 2.8166 -1.3766 1.1730 N 0 3 0 0 0 0 0 0 0 0 0 0 0.0250 -0.6677 0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3034 -1.2125 -0.4312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2128 -1.2176 -0.6917 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5125 -0.6214 0.3017 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5874 -0.7704 -0.1762 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5991 0.9123 0.2568 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8467 0.7452 -0.2309 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0303 0.4260 0.0645 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1140 -0.9476 1.1651 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3097 -2.3060 -0.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3710 -0.9862 -1.5034 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1041 -0.9119 -1.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1696 -2.3147 -0.6909 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5039 -0.9568 1.3458 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3523 -1.2303 -0.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7027 -2.2775 -0.2278 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8330 -1.0103 -1.2935 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5858 -0.9378 0.1824 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6549 -2.3926 1.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2023 -0.9650 1.8875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7855 -1.2247 1.4837 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 2 13 1 0 0 0 0 3 12 2 0 0 0 0 4 13 2 0 0 0 0 5 10 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 11 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 6 27 1 0 0 0 0 7 8 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 8 17 1 0 0 0 0 9 11 1 0 0 0 0 9 18 1 0 0 0 0 9 19 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 M CHG 4 1 -1 2 -1 5 1 6 1 M END > DB03590 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/GMKMEZVLHJARHF-WHFBIAKZSA-N/SDF?record_type=3d > N[C@@H](CCC[C@H](N)C(O)=O)C(O)=O > InChI=1S/C7H14N2O4/c8-4(6(10)11)2-1-3-5(9)7(12)13/h4-5H,1-3,8-9H2,(H,10,11)(H,12,13)/t4-,5-/m0/s1 > GMKMEZVLHJARHF-WHFBIAKZSA-N > C7H14N2O4 > 190.1971 > 190.095356946 > 6 > 27 > -0.007355774604784093 > 18.933170312561906 > 1 > 4 > 0 > 0 > (2S,6S)-2,6-diaminoheptanedioic acid > -4.13 > -5.545367993935247 > -1.13 > 0 > 0 > 0 > 0 > 2.585040505515717 > 1.8470749826619344 > 9.827564769536531 > 126.64000000000001 > 43.63940000000001 > 6 > 1 > 1.41e+01 g/l > biotin > 0 $$$$