Ketcher 12011717152D 1 1.00000 0.00000 0 31 32 0 1 0 999 V2000 14.9599 -16.5934 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0826 -18.0907 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9599 -17.5939 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 15.4571 -18.4634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9617 -17.5979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6458 -15.1125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6456 -16.1089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7795 -16.6123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9136 -16.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9105 -15.1170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7766 -14.6137 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2272 -14.5960 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0931 -15.0890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0963 -16.0912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2305 -16.5946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3612 -16.0960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3612 -15.0995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5088 -16.5984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9590 -14.5856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4952 -14.6066 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7734 -13.6114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2280 -17.6004 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4920 -13.6045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7794 -17.6089 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0475 -16.6225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9099 -13.1170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6394 -13.1070 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9133 -18.1121 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0472 -17.6189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4178 -18.9776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4161 -18.9819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 3 1 0 0 0 3 1 1 0 0 0 4 3 2 0 0 0 5 3 2 0 0 0 6 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 2 0 0 0 11 6 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 12 1 0 0 0 27 21 2 0 0 0 26 21 1 0 0 0 15 22 1 1 0 0 17 20 1 1 0 0 7 18 1 1 0 0 9 25 1 1 0 0 13 19 1 6 0 0 14 1 1 6 0 0 16 18 1 6 0 0 20 23 1 0 0 0 11 21 1 0 0 0 8 24 1 6 0 0 24 28 1 0 0 0 28 29 1 0 0 0 30 28 2 0 0 0 31 28 2 0 0 0 M END > CHEBI:138684 > HP_dp02_0008 > An unsaturated heparin disaccharide that is 2-deoxy-2-(sulfoamino)-α-D-glucopyranose in which the hydroxy group at position 4 has been glycosylated by a 4-deoxy-2-O-sulfo-α-L-threo-hex-4-enopyranosiduronic acid moiety. Sequence: DUA2S-GlcNS. > 3 > alpha-Delta4-UA(2S)-(1->4)-alpha-D-GlcpNS; alpha-Delta4,5-UA(2S)-(1->4)-alpha-D-GlcpNS > 2-deoxy-4-O-(4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronosyl)-2-(sulfoamino)-alpha-D-glucopyranose > C12H19NO16S2 > 497.409 > 497.01453 > 0 > N(S(O)(=O)=O)[C@H]1[C@H](O[C@@H]([C@H]([C@@H]1O)O[C@@H]2OC(=C[C@@H]([C@H]2OS(O)(=O)=O)O)C(=O)O)CO)O > InChI=1S/C12H19NO16S2/c14-2-5-9(7(16)6(11(19)26-5)13-30(20,21)22)28-12-8(29-31(23,24)25)3(15)1-4(27-12)10(17)18/h1,3,5-9,11-16,19H,2H2,(H,17,18)(H,20,21,22)(H,23,24,25)/t3-,5+,6+,7+,8+,9+,11-,12-/m0/s1 > GSYQGRODWXMUOO-GYBHJADLSA-N > 5367965 > DB02353 > 1633599; 20729345 $$$$