Ketcher 01172314522D 1 1.00000 0.00000 0 29 30 0 0 0 999 V2000 0.0000 0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8659 -0.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8659 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 0.0001 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5981 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7320 -2.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -3.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4641 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4640 -1.9999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8661 -3.4999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8659 -3.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7321 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3301 -0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 0.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 2.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4641 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3302 -1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5981 -1.5001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8661 1.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 7 1 1 6 0 0 2 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 3 6 1 6 0 0 4 8 1 0 0 0 5 9 1 0 0 0 5 10 1 1 0 0 6 11 1 0 0 0 7 12 1 0 0 0 7 13 1 0 0 0 8 14 1 1 0 0 9 15 1 6 0 0 11 16 2 0 0 0 11 17 1 0 0 0 12 18 1 0 0 0 12 19 1 1 0 0 13 20 1 0 0 0 13 21 1 1 0 0 14 22 1 0 0 0 18 23 1 0 0 0 20 24 1 6 0 0 23 25 2 0 0 0 24 26 1 0 0 0 26 27 2 0 0 0 26 28 1 0 0 0 8 9 1 0 0 0 20 23 1 0 0 0 19 29 1 0 0 0 M END > CHEBI:143145 > N,N'-diacetylchitobiono-1,5-lactone > A disaccharide that is N-acetyl-D-glucosamino-1,5-lactone in which the hydroxy group at position 5 is replaced by a 2-acetamido-2-deoxy-β-D-glucopyranosyl group. > 3 > N,N'-diacetylchitobiono-1,5-lactone > N-[(3R,4R,5S,6R)-5-{[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}-4-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-pyran-3-yl]acetamide (non-preferred name) > C16H26N2O11 > 422.387 > 422.15366 > 0 > CC(=O)N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@H]1O[C@H]1[C@H](O)[C@@H](NC(C)=O)C(=O)O[C@@H]1CO > InChI=1S/C16H26N2O11/c1-5(21)17-9-13(25)14(8(4-20)27-15(9)26)29-16-10(18-6(2)22)12(24)11(23)7(3-19)28-16/h7-14,16,19-20,23-25H,3-4H2,1-2H3,(H,17,21)(H,18,22)/t7-,8-,9-,10-,11-,12-,13-,14-,16+/m1/s1 > QEWMGEYMXSBQHP-XYLIUAONSA-N > 17900572 $$$$