Mrv1909 12052223372D 78 80 0 0 0 0 999 V2000 0.4607 3.1144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0018 0.8776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6253 -3.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2372 2.8358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3077 0.4316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8920 -2.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4255 0.8097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9705 3.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -3.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1195 0.3636 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4647 -2.8646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6645 2.7679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4255 -2.0405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0803 -0.4603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6253 1.9438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3470 -0.8384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8920 1.5658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1195 -1.5945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2394 4.4832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7414 3.4281 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1843 4.9812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1026 1.4537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3506 2.5937 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2106 2.8417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7859 -3.4847 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4307 -2.3734 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6746 -3.8400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5760 1.2785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8199 2.7451 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9313 2.3898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7617 5.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8697 3.7899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6217 4.9300 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3486 -3.7114 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5925 -5.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7038 -4.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 -4.0954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0141 -4.1739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1508 -4.9587 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2611 3.9307 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6130 4.0092 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4763 4.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1295 0.2049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2409 -0.1502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8856 -1.2616 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6746 2.6091 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7859 2.2539 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4307 1.1425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3283 0.3695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2203 -1.0184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4683 0.1215 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3136 3.9262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9625 1.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3193 -2.7286 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4334 1.7528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3470 -0.3924 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8528 -1.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8528 0.7417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3077 -1.6624 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4647 1.6337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0097 4.0379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2372 -4.0667 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2292 -3.3106 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3978 3.1459 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7743 -0.9063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3193 1.4978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0803 -0.7704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4629 4.2047 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -1.6566 2.1477 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.0526 -3.1067 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.1980 2.0118 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3157 4.4840 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.9705 -4.4447 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 0.1900 -4.1346 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.4371 3.9700 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5076 -0.5283 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0526 1.8758 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.7743 -0.3244 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4 1 1 0 0 0 0 5 2 1 0 0 0 0 6 3 1 0 0 0 0 7 5 1 0 0 0 0 8 4 1 0 0 0 0 9 6 1 0 0 0 0 10 7 1 0 0 0 0 11 9 1 0 0 0 0 12 8 1 0 0 0 0 13 11 1 0 0 0 0 14 10 1 0 0 0 0 15 12 1 0 0 0 0 16 14 1 0 0 0 0 17 15 1 0 0 0 0 18 13 1 0 0 0 0 52 1 1 0 0 0 0 53 2 1 0 0 0 0 54 3 1 0 0 0 0 55 4 1 0 0 0 0 55 17 1 0 0 0 0 56 5 1 0 0 0 0 56 16 1 0 0 0 0 57 6 1 0 0 0 0 57 18 1 0 0 0 0 58 10 1 0 0 0 0 58 17 1 0 0 0 0 59 13 1 0 0 0 0 59 16 1 0 0 0 0 60 7 1 0 0 0 0 61 8 1 0 0 0 0 62 9 1 0 0 0 0 63 11 1 0 0 0 0 64 12 1 0 0 0 0 65 14 1 0 0 0 0 66 15 1 0 0 0 0 67 18 1 0 0 0 0 68 19 1 0 0 0 0 68 20 1 0 0 0 0 68 21 2 0 0 0 0 68 52 1 0 0 0 0 69 22 1 0 0 0 0 69 23 2 0 0 0 0 69 24 2 0 0 0 0 69 53 1 0 0 0 0 70 25 1 0 0 0 0 70 26 2 0 0 0 0 70 27 2 0 0 0 0 70 54 1 0 0 0 0 71 28 1 0 0 0 0 71 29 2 0 0 0 0 71 30 2 0 0 0 0 71 60 1 0 0 0 0 72 31 1 0 0 0 0 72 32 2 0 0 0 0 72 33 2 0 0 0 0 72 61 1 0 0 0 0 73 34 1 0 0 0 0 73 35 2 0 0 0 0 73 36 2 0 0 0 0 73 62 1 0 0 0 0 74 37 1 0 0 0 0 74 38 2 0 0 0 0 74 39 2 0 0 0 0 74 63 1 0 0 0 0 75 40 1 0 0 0 0 75 41 2 0 0 0 0 75 42 2 0 0 0 0 75 64 1 0 0 0 0 76 43 1 0 0 0 0 76 44 2 0 0 0 0 76 45 2 0 0 0 0 76 65 1 0 0 0 0 77 46 1 0 0 0 0 77 47 2 0 0 0 0 77 48 2 0 0 0 0 77 66 1 0 0 0 0 78 49 1 0 0 0 0 78 50 2 0 0 0 0 78 51 2 0 0 0 0 78 67 1 0 0 0 0 M END > DB05808 > drugbank > OP(O)(=O)OCC1OC(OC2C(OS(O)(=O)=O)C(COS(O)(=O)=O)OC(OC3C(OS(O)(=O)=O)OC(COS(O)(=O)=O)C(OS(O)(=O)=O)C3OS(O)(=O)=O)C2OS(O)(=O)=O)C(OS(O)(=O)=O)C(OS(O)(=O)=O)C1OS(O)(=O)=O > InChI=1S/C18H33O49PS10/c19-68(20,21)52-1-4-8(61-72(31,32)33)12(64-75(40,41)42)15(66-77(46,47)48)17(55-4)58-10-7(60-71(28,29)30)5(2-53-69(22,23)24)56-16(14(10)65-76(43,44)45)59-13-11(63-74(37,38)39)9(62-73(34,35)36)6(3-54-70(25,26)27)57-18(13)67-78(49,50)51/h4-18H,1-3H2,(H2,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)(H,40,41,42)(H,43,44,45)(H,46,47,48)(H,49,50,51) > RIYITPRTNFEGIA-UHFFFAOYSA-N > C18H33O49PS10 > 1384.99 > 1383.703516181 > 38 > 111 > -10.007886937017238 > 103.89910980167198 > 0 > 12 > 0 > 0 > (2-{[3,5-bis(sulfooxy)-2-[(sulfooxy)methyl]-6-{[2,4,5-tris(sulfooxy)-6-[(sulfooxy)methyl]oxan-3-yl]oxy}oxan-4-yl]oxy}-6-[(phosphonooxy)methyl]-4,5-bis(sulfooxy)oxan-3-yl)oxidanesulfonic acid > -1.17 > -6.047918860666666 > -3.05 > 1 > -12 > 3 > -12 > -2.9986581354098063 > -3.372853780833445 > 748.9100000000004 > 211.54089999999982 > 29 > 0 > 1.24e+00 g/l > (2-{[3,5-bis(sulfooxy)-2-[(sulfooxy)methyl]-6-{[2,4,5-tris(sulfooxy)-6-[(sulfooxy)methyl]oxan-3-yl]oxy}oxan-4-yl]oxy}-6-[(phosphonooxy)methyl]-4,5-bis(sulfooxy)oxan-3-yl)oxidanesulfonic acid > 0 > DB05808 > investigational > Muparfostat > .ALPHA.-D-MANNAN, (1->3)-, 6-(DIHYDROGEN PHOSPHATE) TRIS(HYDROGEN SULFATE); Heparanase inhibitor PI-88; Mannopentaose phosphate sulfate; Phosphomannopentaose sulfate; Sulfated mannopentaose phosphate > Muparfostat sodium $$$$