Ketcher 05062016232D 1 1.00000 0.00000 0 31 32 0 1 0 999 V2000 13.4497 -9.1775 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 17.7798 -5.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0477 -7.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7798 -8.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1817 -6.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5118 -5.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3157 -8.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0477 -4.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5836 -7.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5836 -5.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6458 -9.1776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5837 -8.6775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4497 -4.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1817 -4.1775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5118 -7.6775 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.9138 -7.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7798 -7.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6458 -7.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9138 -6.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6458 -6.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1817 -7.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0477 -5.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3157 -7.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4497 -7.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4497 -6.1775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3157 -5.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5118 -8.6776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3778 -9.1776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3157 -4.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9497 -10.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9497 -10.0435 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 1 12 1 0 0 0 2 19 1 0 0 0 2 20 1 0 0 0 16 3 1 6 0 0 21 3 1 1 0 0 17 4 1 1 0 0 5 21 1 0 0 0 5 26 1 0 0 0 20 6 1 6 0 0 23 7 1 6 0 0 8 22 1 0 0 0 24 9 1 1 0 0 10 25 1 0 0 0 11 27 2 0 0 0 13 29 1 0 0 0 14 29 2 0 0 0 18 15 1 6 0 0 15 27 1 0 0 0 16 17 1 0 0 0 16 19 1 0 0 0 17 18 1 0 0 0 18 20 1 0 0 0 19 22 1 1 0 0 21 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 2 0 0 0 26 29 1 0 0 0 27 28 1 0 0 0 1 30 2 0 0 0 1 31 2 0 0 0 M END > CHEBI:148337 > Delta(4)-beta-D-GlcpA2S-(1->3)-alpha-D-GlcpNAc > An oligosaccharide sulfate consisting of 2-O-sulfo-α-L-threo-hex-4-enopyranuronic acid and 2-acetamido-2-deoxy-α-D-glucopyranose residues joined in sequence by a (1→4) glycosidic linkage. > 3 > WURCS=2.0/2,2,1/[a2122h-1a_1-5_2*NCC/3=O][a21EEA-1a_1-5_2*OSO/3=O/3=O]/1-2/a4-b1; (2R,3R,4R)-2-[(2R,3S,4R,5R,6S)-5-acetamido-4,6-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-3-sulfooxy-3,4-dihydro-2H-pyran-6-carboxylic acid > 2-acetamido-2-deoxy-4-O-(2-O-sulfo-alpha-L-threo-hex-4-enopyranuronosyl)-alpha-D-glucopyranose > C14H21NO15S > 475.370 > 475.06319 > 0 > S(O[C@H]1[C@H](O[C@H]2[C@H](O)[C@@H](NC(=O)C)[C@H](O[C@@H]2CO)O)OC(=C(O)[C@@H]1O)C(O)=O)(O)(=O)=O > InChI=1S/C14H21NO15S/c1-3(17)15-5-6(18)9(4(2-16)27-13(5)23)28-14-11(30-31(24,25)26)8(20)7(19)10(29-14)12(21)22/h4-6,8-9,11,13-14,16,18-20,23H,2H2,1H3,(H,15,17)(H,21,22)(H,24,25,26)/t4-,5-,6-,8+,9-,11-,13+,14-/m1/s1 > QLTWLNIGPMYBGJ-NXYODELNSA-N $$$$