439427 -OEChem-02282013413D 29 29 0 1 0 0 0 0 0999 V2000 -3.7153 0.2170 -0.0265 P 0 0 0 0 0 0 0 0 0 0 0 0 0.4752 0.9999 0.1797 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9065 -2.5940 -0.3789 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5132 -1.7409 0.5338 O 0 0 0 0 0 0 0 0 0 0 0 0 4.0842 0.9980 -0.3898 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9786 2.7833 0.2327 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1376 0.3453 -0.3692 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7480 0.0851 1.5850 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0747 -1.2773 -0.5293 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5781 1.3033 -0.5991 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1819 -1.3187 0.1948 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6042 -0.8955 -0.1728 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1619 -0.3010 -0.3211 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8637 0.5621 0.2082 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7384 1.4736 -0.2813 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2541 -0.6402 0.1338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1036 -1.4254 1.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7986 -1.0556 -1.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1651 -0.2615 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9951 0.6444 1.2938 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7249 1.5596 -1.3740 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3097 -0.6335 1.2275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5548 -1.6254 -0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9665 -2.5076 -1.3456 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3138 -2.6586 0.2808 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9894 0.9259 -1.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3276 2.7018 1.1359 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6158 0.0635 2.0418 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0105 -1.5710 -0.5139 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 8 1 0 0 0 0 1 9 1 0 0 0 0 1 10 2 0 0 0 0 2 13 1 0 0 0 0 2 15 1 0 0 0 0 3 11 1 0 0 0 0 3 24 1 0 0 0 0 4 12 1 0 0 0 0 4 25 1 0 0 0 0 5 14 1 0 0 0 0 5 26 1 0 0 0 0 6 15 1 0 0 0 0 6 27 1 0 0 0 0 7 16 1 0 0 0 0 8 28 1 0 0 0 0 9 29 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 17 1 0 0 0 0 12 14 1 0 0 0 0 12 18 1 0 0 0 0 13 16 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 20 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 > DB04122 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NBSCHQHZLSJFNQ-VFUOTHLCSA-N/SDF?record_type=3d > O[C@@H]1O[C@H](COP(O)(O)=O)[C@@H](O)[C@H](O)[C@H]1O > InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1 > NBSCHQHZLSJFNQ-VFUOTHLCSA-N > C6H13O9P > 260.1358 > 260.029718526 > 8 > 29 > -1.9186124494649193 > 20.960874743972497 > 1 > 6 > 0 > 0 > {[(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methoxy}phosphonic acid > -2.06 > -3.056105249333333 > -0.92 > 0 > -2 > 1 > -2 > 6.248752256962443 > 1.2229363277511232 > -3.6493569608609406 > 156.91 > 46.796299999999995 > 3 > 0 > 3.14e+01 g/l > 4'-phosphopantetheine > 0 $$$$