440121 -OEChem-02282013123D 34 33 0 1 0 0 0 0 0999 V2000 3.2280 -1.6528 0.7585 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7441 -0.7677 -1.2644 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3888 -0.1153 -0.1245 N 0 3 0 0 0 0 0 0 0 0 0 0 3.1159 1.7644 -0.4787 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0237 -0.0942 -0.7028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0209 0.2187 0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4020 0.2970 -0.1612 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4925 -1.1622 0.9939 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7517 1.2533 0.4695 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4317 -0.4603 -1.1973 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4106 0.6472 0.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8774 0.6934 0.4887 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3314 -0.6215 -0.1211 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9972 0.6639 -1.4946 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8238 -1.0744 -1.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0169 -0.5529 1.1739 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2264 1.1786 0.8797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4422 1.0538 -0.9535 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6605 -0.6653 -0.6179 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0889 -2.1081 0.6212 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9557 -0.8177 1.8811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5504 -1.2802 1.2500 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8227 1.2502 0.6971 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1998 1.4193 1.3974 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5286 2.0238 -0.2740 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3755 0.3002 -1.9815 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1898 -1.4480 -1.6005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4240 -0.4655 -0.7370 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1409 1.6162 1.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3154 -0.0902 1.7492 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5161 0.8850 1.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1152 1.8419 -0.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8310 2.6569 -0.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5194 -2.5014 0.3621 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 34 1 0 0 0 0 2 13 2 0 0 0 0 3 5 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 12 1 0 0 0 0 4 32 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 14 1 0 0 0 0 5 15 1 0 0 0 0 6 7 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 11 1 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 20 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 31 1 0 0 0 0 M CHG 1 3 1 M END > DB03977 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/MXNRLFUSFKVQSK-QMMMGPOBSA-O/SDF?record_type=3d > C[N+](C)(C)CCCC[C@H](N)C(O)=O > InChI=1S/C9H20N2O2/c1-11(2,3)7-5-4-6-8(10)9(12)13/h8H,4-7,10H2,1-3H3/p+1/t8-/m0/s1 > MXNRLFUSFKVQSK-QMMMGPOBSA-O > C9H21N2O2 > 189.2752 > 189.160302926 > 3 > 34 > 0.9970587300943989 > 21.970027046327672 > 1 > 2 > 1 > 0 > [(5S)-5-amino-5-carboxypentyl]trimethylazanium > -3.00 > -6.198754912366285 > -2.98 > 0 > 1 > 0 > 1 > 2.407558396399149 > 9.526420173475088 > 63.31999999999999 > 63.7924 > 6 > 1 > 2.33e-01 g/l > 4'-phosphopantetheine > 0 $$$$