446862 -OEChem-10051719463D 38 38 0 1 0 0 0 0 0999 V2000 2.6109 2.4015 -0.1786 P 0 0 0 0 0 0 0 0 0 0 0 0 1.0544 1.9837 -0.3013 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1224 -1.5225 -1.0457 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5191 -2.6049 -1.4590 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8190 -1.7441 0.6223 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6186 3.5213 0.9881 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8551 3.2645 -1.5242 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5624 1.2585 0.0226 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1304 -2.1534 0.5347 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2761 1.7555 0.5468 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3742 -0.1543 -0.1528 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3486 -1.1892 -0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9756 1.0157 0.4722 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8708 -3.1433 0.1426 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7116 -0.3816 -0.4325 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4500 1.3039 0.7930 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6185 0.5992 -0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9600 1.9340 0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 -4.1463 1.2705 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1608 -2.4120 -0.1623 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0749 0.4139 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6851 -1.7105 -1.4395 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5669 -0.6772 -0.8480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5329 -3.6895 -0.7470 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0059 -2.6286 0.7545 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5066 1.9505 1.6771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0227 0.4072 1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7189 2.8729 1.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1459 -4.6927 1.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8411 -4.8778 1.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3983 -3.6563 2.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6486 1.2781 0.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2585 0.3170 -1.4139 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4596 -0.4681 0.1830 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0840 -1.5304 -1.1696 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3557 -2.1423 -1.6791 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4776 3.8857 1.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7647 3.5633 -1.7377 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 6 1 0 0 0 0 1 7 1 0 0 0 0 1 8 2 0 0 0 0 2 16 1 0 0 0 0 3 15 1 0 0 0 0 3 35 1 0 0 0 0 4 20 1 0 0 0 0 4 36 1 0 0 0 0 5 20 2 0 0 0 0 6 37 1 0 0 0 0 7 38 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 9 25 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 15 2 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 13 16 1 0 0 0 0 13 18 2 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 24 1 0 0 0 0 15 17 1 0 0 0 0 16 26 1 0 0 0 0 16 27 1 0 0 0 0 17 21 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 M END > DB01993 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/WACJCHFWJNNBPR-SSDOTTSWSA-N/SDF?record_type=3d > C[C@@H](NCC1=C(O)C(C)=NC=C1COP(O)(O)=O)C(O)=O > InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m1/s1 > WACJCHFWJNNBPR-SSDOTTSWSA-N > C11H17N2O7P > 320.2356 > 320.07733742 > 8 > 38 > -1.9768010839503922 > 28.924358872277473 > 1 > 5 > 0 > 0 > (2R)-2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]propanoic acid > -1.70 > -4.247970809025923 > -2.33 > 0 > -2 > 1 > -2 > 1.9533961536616555 > 1.025214245007704 > 9.578358197544208 > 149.20999999999998 > 71.9888 > 7 > 1 > 1.48e+00 g/l > biotin > 0 $$$$