Ketcher 05182012562D 1 1.00000 0.00000 0 32 33 0 1 0 999 V2000 13.2111 -12.3359 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.2116 -11.3359 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3448 -12.8355 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2111 -12.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7106 -13.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6777 -10.3409 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 13.2127 -9.3358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4805 -9.3348 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9456 -7.3408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4790 -12.3350 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7473 -11.3341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9456 -10.3410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6777 -9.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6777 -7.3408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7489 -8.3338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3473 -7.8409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2133 -6.3407 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8116 -10.8410 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3458 -10.8354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3464 -9.8353 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4795 -11.3350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0795 -8.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6136 -10.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9456 -9.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6142 -9.8344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8116 -8.8409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0795 -7.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8116 -7.8408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7483 -9.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2134 -7.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6777 -10.3409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1777 -11.2071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1 4 2 0 0 0 1 5 2 0 0 0 6 13 1 0 0 0 6 18 1 0 0 0 20 7 1 6 0 0 22 7 1 6 0 0 8 20 1 0 0 0 8 25 1 0 0 0 9 27 1 0 0 0 9 28 1 0 0 0 21 10 1 1 0 0 23 11 1 6 0 0 24 12 1 1 0 0 26 13 1 6 0 0 28 14 1 1 0 0 15 29 1 0 0 0 16 30 1 0 0 0 17 30 2 0 0 0 19 2 1 6 0 0 19 20 1 0 0 0 19 21 1 0 0 0 21 23 1 0 0 0 22 24 1 0 0 0 22 27 1 0 0 0 23 25 1 0 0 0 24 26 1 0 0 0 25 29 1 1 0 0 26 28 1 0 0 0 27 30 1 6 0 0 6 31 2 0 0 0 6 32 2 0 0 0 M END > CHEBI:148166 > alpha-D-GlcpNS-(1->4)-alpha-L-IdopA2S > An oligosaccharide sulfate consisting of 2-deoxy-2-(sulfoamino)-α-D-glucopyranose and 2-O-sulfo-α-L-idopyranuronic acid joined in sequence by a (1→4) glycosidic bond. > 3 > WURCS=2.0/2,2,1/[a2121A-1a_1-5_2*OSO/3=O/3=O][a2122h-1a_1-5_2*NSO/3=O/3=O]/1-2/a4-b1; 2-deoxy-2-sulfoamino-alpha-D-gluco-hexopyranosyl-(1->4)-2-O-sulfo-alpha-L-ido-hexopyranuronic acid; (2R,3S,4S,5R,6R)-3-[(2R,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(sulfoamino)oxan-2-yl]oxy-4,6-dihydroxy-5-sulfooxyoxane-2-carboxylic acid > GlcNS(a1-4)a-IdoA2S; 4-O-[2-deoxy-2-(sulfoamino)-alpha-D-glucopyranosyl]-2-O-sulfo-alpha-L-idopyranuronic acid > C12H21NO17S2 > 515.410 > 515.02509 > 0 > S(N[C@H]1[C@@H](O[C@H]2[C@H](O)[C@@H](OS(O)(=O)=O)[C@@H](O[C@H]2C(O)=O)O)O[C@@H]([C@@H](O)[C@@H]1O)CO)(O)(=O)=O > InChI=1S/C12H21NO17S2/c14-1-2-4(15)5(16)3(13-31(21,22)23)12(27-2)29-7-6(17)8(30-32(24,25)26)11(20)28-9(7)10(18)19/h2-9,11-17,20H,1H2,(H,18,19)(H,21,22,23)(H,24,25,26)/t2-,3-,4-,5-,6+,7+,8-,9-,11-,12-/m1/s1 > RFPBVNUWLBNQSQ-GQBJTHPJSA-N $$$$