44400013 -OEChem-10051719193D 27 26 0 1 0 0 0 0 0999 V2000 -1.3107 -1.4406 -0.0719 P 0 0 0 0 0 0 0 0 0 0 0 0 -0.6071 1.7061 -0.2528 P 0 0 2 0 0 0 0 0 0 0 0 0 -0.8941 0.2020 1.8125 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1506 -1.4106 -1.6792 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8460 -0.9801 0.1436 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2313 1.7921 -0.1373 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9412 -2.7386 0.5827 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0001 2.7169 0.6944 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.2109 1.6450 -1.7103 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0546 0.2797 0.3446 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.3467 0.0069 0.4981 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1457 -0.3334 0.7044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9290 -0.5827 -0.5847 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4092 -0.8627 -0.3439 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2313 -1.2126 1.3555 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5965 0.4933 1.2653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4985 -1.4373 -1.1176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8447 0.2832 -1.2483 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5619 -1.7434 0.2870 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9385 -1.0000 -1.2915 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8169 0.4884 1.7116 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0742 0.1503 0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7268 0.3858 1.3132 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 1.1675 -0.1456 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5625 -2.1241 -2.2113 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0730 -0.0279 0.1947 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6810 2.6031 -0.4571 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 1 7 2 0 0 0 0 1 11 1 0 0 0 0 2 6 1 0 0 0 0 2 8 1 0 0 0 0 2 9 2 0 0 0 0 2 11 1 0 0 0 0 3 11 1 0 0 0 0 3 21 1 0 0 0 0 4 25 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 10 14 1 0 0 0 0 10 22 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 12 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 M CHG 2 8 -1 10 1 M END > DB00630 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/OGSPWJRAVKPPFI-UHFFFAOYSA-N/SDF?record_type=3d > NCCCC(O)(P(O)(O)=O)P(O)(O)=O > InChI=1S/C4H13NO7P2/c5-3-1-2-4(6,13(7,8)9)14(10,11)12/h6H,1-3,5H2,(H2,7,8,9)(H2,10,11,12) > OGSPWJRAVKPPFI-UHFFFAOYSA-N > C4H13NO7P2 > 249.096 > 249.016724799 > 8 > 27 > -1.5498642508042435 > 19.39735094005342 > 1 > 6 > 0 > 0 > (4-amino-1-hydroxy-1-phosphonobutyl)phosphonic acid > -1.34 > -4.190998026971535 > -1.17 > 0 > -2 > 0 > -2 > 1.453334585346659 > 0.690481352011787 > 9.910686092584644 > 161.31 > 47.3738 > 5 > 0 > 1.69e+01 g/l > biotin > 0 $$$$