443200 -OEChem-11151910543D 63 64 0 1 0 0 0 0 0999 V2000 -3.6454 -2.0489 1.4804 P 0 0 1 0 0 0 0 0 0 0 0 0 -2.2852 -2.8359 -1.0071 P 0 0 2 0 0 0 0 0 0 0 0 0 3.2051 -1.9781 1.6163 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.0957 2.6976 1.0677 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0279 2.9601 -1.2099 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6149 2.9067 -2.4798 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7950 -0.4999 1.0363 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5700 -0.9848 0.5171 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6995 -3.0639 -1.2015 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4200 -2.6104 0.5878 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7353 -2.8195 -2.5459 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6092 4.9315 -1.0554 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3258 -2.1342 -2.4787 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0185 -1.9823 2.9705 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9055 -2.8579 1.3743 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9211 -4.3079 -1.2213 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8986 -1.7524 -1.8451 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7473 -1.4947 1.6728 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5971 -1.4461 3.0172 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0090 -3.4412 1.3461 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0533 3.1066 0.2434 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3158 3.9232 0.0503 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0603 2.8846 1.1844 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1466 1.8830 -0.8928 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.7185 2.2564 -1.2298 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0928 1.7516 0.6232 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.3467 3.1610 -0.0677 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6737 0.3649 1.0927 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6822 -1.3492 -0.8634 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5079 2.1117 1.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9796 4.0361 -0.2939 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6174 -2.4287 -1.1768 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1158 -1.8605 -1.0978 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1777 -1.9759 -0.9216 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4805 -0.0671 -1.6797 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7886 1.9856 1.4374 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7280 2.9792 0.8552 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5010 0.9937 -1.4205 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0879 1.3597 -1.2547 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0453 2.0325 1.0869 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6347 4.2005 -0.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3205 0.4130 2.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8601 -0.0420 0.4865 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9243 2.6894 -0.9471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9715 2.3030 -3.1535 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2040 1.4021 1.4908 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7892 -3.3405 -0.6025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3359 -2.7911 -0.5722 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8543 -1.1115 -0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0434 -1.6657 0.1188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1024 -1.1542 -1.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4853 -0.2531 -2.7581 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2675 0.6626 -1.4550 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5386 0.4272 -1.4203 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1499 1.2184 2.1076 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0498 -3.4870 -2.7201 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2464 -2.4319 -2.5749 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9579 -2.8079 3.4967 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7370 3.5408 0.8098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4112 2.1614 1.8038 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5848 -5.0527 -0.6788 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3871 -2.0111 2.2076 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8039 -1.9367 3.8410 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 1 14 1 0 0 0 0 1 15 2 0 0 0 0 2 9 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 2 17 2 0 0 0 0 3 8 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 3 20 2 0 0 0 0 4 26 1 0 0 0 0 4 27 1 0 0 0 0 5 24 1 0 0 0 0 5 44 1 0 0 0 0 6 25 1 0 0 0 0 6 45 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 9 34 1 0 0 0 0 11 32 1 0 0 0 0 11 56 1 0 0 0 0 12 31 2 0 0 0 0 13 33 1 0 0 0 0 13 57 1 0 0 0 0 14 58 1 0 0 0 0 16 61 1 0 0 0 0 18 62 1 0 0 0 0 19 63 1 0 0 0 0 21 27 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 22 31 1 0 0 0 0 22 37 2 0 0 0 0 23 37 1 0 0 0 0 23 59 1 0 0 0 0 23 60 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 24 38 1 0 0 0 0 25 27 1 0 0 0 0 25 39 1 0 0 0 0 26 28 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 29 32 1 0 0 0 0 29 33 1 0 0 0 0 29 35 1 0 0 0 0 30 36 2 0 0 0 0 30 46 1 0 0 0 0 32 34 1 0 0 0 0 32 47 1 0 0 0 0 33 48 1 0 0 0 0 33 49 1 0 0 0 0 34 50 1 0 0 0 0 34 51 1 0 0 0 0 35 52 1 0 0 0 0 35 53 1 0 0 0 0 35 54 1 0 0 0 0 36 37 1 0 0 0 0 36 55 1 0 0 0 0 M END > DB01859 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/HTJXTKBIUVFUAR-XHIBXCGHSA-N/SDF?record_type=3d > C[C@@](CO)(OP(O)(O)=O)[C@H](O)COP(O)(=O)OP(O)(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)N1C=CC(N)=NC1=O > InChI=1S/C14H26N3O17P3/c1-14(6-18,33-35(23,24)25)8(19)5-31-37(28,29)34-36(26,27)30-4-7-10(20)11(21)12(32-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21H,4-6H2,1H3,(H,26,27)(H,28,29)(H2,15,16,22)(H2,23,24,25)/t7-,8-,10-,11-,12-,14+/m1/s1 > HTJXTKBIUVFUAR-XHIBXCGHSA-N > C14H26N3O17P3 > 601.2874 > 601.047505957 > 16 > 63 > 48.76210925377099 > 0 > 10 > 0 > 0 > {[(2S,3R)-4-({[({[(2R,3S,4R,5R)-3,4-dihydroxy-5-(2-hydroxy-4-imino-1,4-dihydropyrimidin-1-yl)oxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)-1,3-dihydroxy-2-methylbutan-2-yl]oxy}phosphonic acid > -4.13939466482852 > 0 > 2 > -4 > 1.9128244720603091 > 1.0627836959761143 > 3.5586717096513913 > 318.88000000000005 > 125.91379999999995 > 13 > 0 > (L)-canavanine > 0 $$$$