91493 -OEChem-10051719483D 30 29 0 1 0 0 0 0 0999 V2000 3.3804 0.8818 0.1375 P 0 0 0 0 0 0 0 0 0 0 0 0 0.3496 -1.6093 1.5876 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0839 -0.3258 1.8206 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0931 -2.7046 -0.9406 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2759 -0.2990 0.1021 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1951 -1.1189 -0.6925 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5169 2.3856 -0.2263 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4545 1.2054 -0.1784 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 2.2351 0.0440 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0614 0.7793 -1.3255 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3405 0.8193 1.2893 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4891 -1.4945 0.4425 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3508 -0.2212 0.5965 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3574 -1.4848 -0.8501 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3615 0.0218 -0.5405 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3310 -0.3080 -0.9587 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2376 1.2380 -0.3075 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1312 -2.3834 0.4572 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7079 0.6574 0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3076 -1.4705 -1.7194 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8423 0.1766 -1.4923 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7916 0.6429 -0.9841 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8852 -0.4054 -1.8988 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8166 -2.4596 1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4394 -0.4688 2.5348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8041 -2.6735 -0.2782 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7283 -0.9876 -1.4951 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0885 3.1657 -0.0620 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9536 3.1021 0.1134 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8398 1.3411 -1.5271 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 1 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 1 11 2 0 0 0 0 2 12 1 0 0 0 0 2 24 1 0 0 0 0 3 13 1 0 0 0 0 3 25 1 0 0 0 0 4 14 1 0 0 0 0 4 26 1 0 0 0 0 5 16 1 0 0 0 0 6 15 1 0 0 0 0 6 27 1 0 0 0 0 7 17 1 0 0 0 0 7 28 1 0 0 0 0 8 17 2 0 0 0 0 9 29 1 0 0 0 0 10 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 15 1 0 0 0 0 13 19 1 0 0 0 0 14 16 1 0 0 0 0 14 20 1 0 0 0 0 15 17 1 0 0 0 0 15 21 1 0 0 0 0 16 22 1 0 0 0 0 16 23 1 0 0 0 0 M END > DB02076 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BIRSGZKFKXLSJQ-SQOUGZDYSA-N/SDF?record_type=3d > O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@@H](O)C(O)=O > InChI=1S/C6H13O10P/c7-2(1-16-17(13,14)15)3(8)4(9)5(10)6(11)12/h2-5,7-10H,1H2,(H,11,12)(H2,13,14,15)/t2-,3-,4+,5-/m1/s1 > BIRSGZKFKXLSJQ-SQOUGZDYSA-N > C6H13O10P > 276.1352 > 276.024633148 > 9 > 30 > -2.8582930934315107 > 21.604298093643212 > 1 > 7 > 0 > 0 > (2R,3S,4R,5R)-2,3,4,5-tetrahydroxy-6-(phosphonooxy)hexanoic acid > -2.27 > -3.533310342 > -1.12 > 0 > -3 > 0 > -3 > 3.4439499496677928 > 1.4859275426968526 > -3.539574960052646 > 184.98 > 49.14390000000001 > 7 > 0 > 2.07e+01 g/l > biotin > 0 $$$$