Ketcher 12271714372D 1 1.00000 0.00000 0 96101 0 1 0 999 V2000 22.3649 -8.3808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2312 -7.8809 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 23.2312 -6.8807 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.2313 -7.8809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7311 -8.7471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3022 -8.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0346 -6.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9007 -7.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9007 -8.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0346 -8.8809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1683 -8.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1683 -7.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7668 -6.8807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3022 -6.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7668 -8.8729 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0346 -9.8810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4361 -7.3806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3022 -5.8806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4989 -4.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3650 -5.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3650 -6.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4989 -6.8807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6328 -6.3807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6328 -5.3806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2312 -4.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7668 -4.8805 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4989 -7.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7668 -3.8803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8308 -10.8707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.2952 -10.8707 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.3136 -11.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4567 -12.3865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5630 -8.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4291 -9.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4291 -10.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5630 -10.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6968 -10.3707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6968 -9.3706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8308 -8.8705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5630 -11.8708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8308 -7.8704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1626 -14.8609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0288 -15.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0288 -16.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1626 -16.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2965 -16.3610 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2965 -15.3609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8948 -14.8609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4304 -14.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8948 -16.8530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1626 -17.8612 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5643 -15.3609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4304 -13.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9133 -17.8530 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0566 -18.3687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9132 -17.8346 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4290 -18.7097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3593 -14.8609 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3777 -15.8608 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5208 -16.3765 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3775 -15.8425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8934 -16.7174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6271 -12.8606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4932 -13.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4932 -14.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6271 -14.8609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7610 -14.3608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7610 -13.3606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8948 -12.8606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6271 -15.8608 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8948 -11.8605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0288 -11.3605 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.1627 -11.8607 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5288 -10.4944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5289 -10.4944 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3663 -12.8709 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0986 -10.8707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9647 -11.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9647 -12.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0986 -12.8710 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2324 -12.3709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2324 -11.3708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3663 -10.8707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8309 -12.8628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0986 -13.8711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5002 -11.3708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3663 -9.8706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8492 -13.8629 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.9924 -14.3788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8491 -13.8444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3650 -14.7196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9007 -3.3803 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 18.0346 -3.8805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4006 -2.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4007 -2.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1886 -12.3549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 4 2 2 0 0 0 5 2 2 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 0 0 0 12 7 1 0 0 0 18 14 2 0 0 0 17 14 1 0 0 0 8 13 1 1 0 0 10 16 1 1 0 0 12 14 1 1 0 0 9 15 1 6 0 0 11 6 1 6 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 19 1 0 0 0 22 27 1 1 0 0 24 26 1 1 0 0 20 25 1 6 0 0 21 3 1 6 0 0 23 13 1 6 0 0 26 28 1 0 0 0 30 31 1 0 0 0 31 32 2 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 33 1 0 0 0 36 40 1 1 0 0 38 39 1 1 0 0 35 30 1 6 0 0 37 29 1 6 0 0 39 41 1 0 0 0 34 6 1 6 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 2 0 0 0 47 42 1 0 0 0 53 49 2 0 0 0 52 49 1 0 0 0 43 48 1 1 0 0 45 51 1 1 0 0 47 49 1 0 0 0 44 50 1 6 0 0 50 54 1 0 0 0 54 55 1 0 0 0 56 54 2 0 0 0 57 54 2 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 61 59 2 0 0 0 62 59 2 0 0 0 63 64 1 0 0 0 64 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 63 1 0 0 0 66 70 1 1 0 0 68 69 1 1 0 0 65 58 1 6 0 0 67 48 1 6 0 0 69 71 1 0 0 0 71 72 1 0 0 0 72 73 1 0 0 0 74 72 2 0 0 0 75 72 2 0 0 0 64 76 1 6 0 0 77 78 1 0 0 0 78 79 1 0 0 0 79 80 1 0 0 0 80 81 1 0 0 0 81 82 1 0 0 0 82 77 1 0 0 0 87 83 2 0 0 0 86 83 1 0 0 0 78 29 1 1 0 0 80 85 1 1 0 0 82 83 1 6 0 0 79 84 1 6 0 0 84 88 1 0 0 0 88 89 1 0 0 0 90 88 2 0 0 0 91 88 2 0 0 0 81 76 1 6 0 0 28 92 1 0 0 0 92 93 1 0 0 0 94 92 2 0 0 0 95 92 2 0 0 0 31 96 1 0 0 0 M END > CHEBI:138679 > HP_dp06_0005 > A heparin hexasaccharide consisting of 4-deoxy-2-O-sulfo-α-L-threo-hex-4-enopyranuronosyl, 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranosyl, 2-O-sulfo-α-L-idopyranuronosyl, 2-acetamido-2-deoxy-α-D-glucopyranosyl, β-D-glucopyranuronosyl, and 2-deoxy-6-O-sulfo-2-(sulfoamino)-α-D-glucopyranose units joined in sequence by 1→4 linkages. Sequence: DUA2S-GlcNS6S-IdoA2S-GlcNAc-GlcA-GlcNS6S. > 3 > alpha-delta4,5-UA(2S)-(1-4)-alpha-D-GlcpNS(6S)-(1-4)-alpha-L-IdopA(2S)-(1-4)-alpha-D-GlcpNAc-(1-4)-beta-D-GlcpA-(1-4)-alpha-D-GlcpNS(6S) > 4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronosyl-(1->4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranosyl-(1->4)-2-O-sulfo-alpha-L-idopyranuronosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl-(1->4)-beta-D-glucopyranuronosyl-(1->4)-2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose > C38H59N3O49S6 > 1534.264 > 1533.05414 > 0 > OS(N[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O[C@@H]2O[C@@H]([C@H]([C@@H]([C@H]2O)O)O[C@H]3O[C@@H]([C@H]([C@@H]([C@H]3NC(=O)C)O)O[C@@H]4O[C@H]([C@H]([C@@H]([C@H]4OS(O)(=O)=O)O)O[C@H]5O[C@@H]([C@H]([C@@H]([C@H]5NS(O)(=O)=O)O)O[C@@H]6OC(=C[C@@H]([C@H]6OS(O)(=O)=O)O)C(=O)O)COS(O)(=O)=O)C(=O)O)CO)C(=O)O)COS(O)(=O)=O)O)(=O)=O > InChI=1S/C38H59N3O49S6/c1-6(43)39-13-16(46)22(9(3-42)80-34(13)85-25-18(48)19(49)36(87-28(25)31(53)54)82-23-10(4-76-93(64,65)66)78-33(57)12(15(23)45)40-91(58,59)60)83-38-27(90-96(73,74)75)20(50)26(29(88-38)32(55)56)86-35-14(41-92(61,62)63)17(47)24(11(81-35)5-77-94(67,68)69)84-37-21(89-95(70,71)72)7(44)2-8(79-37)30(51)52/h2,7,9-29,33-38,40-42,44-50,57H,3-5H2,1H3,(H,39,43)(H,51,52)(H,53,54)(H,55,56)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)/t7-,9+,10+,11+,12+,13+,14+,15+,16+,17+,18+,19+,20-,21+,22+,23+,24+,25-,26-,27+,28-,29+,33-,34+,35+,36+,37-,38+/m0/s1 > RCTLJCAJMSPXEP-DJRAQRCISA-N > 20729345 $$$$