Ketcher 03302015472D 1 1.00000 0.00000 0 64 67 0 1 0 999 V2000 54.6355 -22.2141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 54.6355 -25.2138 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.9013 -24.2218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 56.3674 -22.2141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 51.1696 -24.2005 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 56.1354 -26.0797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 58.9651 -19.7142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 60.6971 -19.7142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 53.6357 -26.9457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.8767 -26.2214 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 52.9036 -21.2142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 51.1326 -27.2000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 54.6356 -28.6776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 49.4131 -26.1787 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 56.6353 -28.6776 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 57.2332 -19.7142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 58.0992 -22.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 60.6970 -16.7145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 62.4290 -17.7144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 49.4500 -23.1793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 57.2333 -22.7140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 62.4290 -20.7141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 61.5630 -21.2141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 58.0993 -19.2143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 61.5630 -22.2140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 56.3674 -24.2139 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 58.9651 -17.7144 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 59.8311 -22.2140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 54.6355 -24.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.7696 -23.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.5015 -23.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 53.7695 -22.7140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.5015 -22.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.1355 -26.0797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.0292 -24.7110 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 54.6356 -26.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.0169 -25.7109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 52.9036 -22.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 51.1449 -26.2001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 55.1355 -27.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.2852 -25.6895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.1354 -27.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 50.2975 -24.6897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.6353 -26.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 56.3673 -21.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.9651 -20.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.2333 -20.7142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 59.8311 -18.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.0992 -21.2141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 59.8311 -19.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 60.6970 -17.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 61.5630 -18.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 61.5630 -19.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 59.8311 -21.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.2333 -23.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 49.4377 -24.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.6352 -26.9457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 62.4290 -19.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 60.6971 -20.7141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.0993 -24.2139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 58.0992 -18.2144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 60.6971 -22.7139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 57.2332 -17.7144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 60.6971 -23.7138 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 32 1 0 0 0 1 33 1 0 0 0 29 2 1 1 0 0 34 2 1 6 0 0 30 3 1 6 0 0 35 3 1 1 0 0 33 4 1 1 0 0 4 45 1 0 0 0 5 35 1 0 0 0 5 43 1 0 0 0 6 34 1 0 0 0 6 44 1 0 0 0 46 7 1 6 0 0 50 7 1 1 0 0 8 50 1 0 0 0 8 53 1 0 0 0 36 9 1 6 0 0 37 10 1 6 0 0 11 38 1 0 0 0 39 12 1 1 0 0 40 13 1 1 0 0 41 14 1 1 0 0 42 15 1 1 0 0 47 16 1 1 0 0 49 17 1 1 0 0 51 18 1 1 0 0 52 19 1 6 0 0 20 56 1 0 0 0 21 55 2 0 0 0 22 58 1 0 0 0 23 59 1 0 0 0 24 61 2 0 0 0 25 62 2 0 0 0 31 26 1 6 0 0 26 55 1 0 0 0 48 27 1 6 0 0 27 61 1 0 0 0 54 28 1 0 0 0 28 62 1 0 0 0 29 30 1 0 0 0 29 31 1 0 0 0 30 32 1 0 0 0 31 33 1 0 0 0 32 38 1 1 0 0 34 36 1 0 0 0 35 37 1 0 0 0 36 40 1 0 0 0 37 39 1 0 0 0 39 41 1 0 0 0 40 42 1 0 0 0 41 43 1 0 0 0 42 44 1 0 0 0 43 56 1 1 0 0 44 57 1 1 0 0 45 47 1 0 0 0 46 49 1 0 0 0 46 54 1 0 0 0 47 49 1 0 0 0 48 50 1 0 0 0 48 51 1 0 0 0 51 52 1 0 0 0 52 53 1 0 0 0 53 58 1 1 0 0 54 59 1 6 0 0 55 60 1 0 0 0 61 63 1 0 0 0 62 64 1 0 0 0 M END > CHEBI:147274 > beta-D-GlcpNAc-(1->3)-[6-deoxy-alpha-L-Galp-(1->3)-[beta-D-Galp-(1->4)]-beta-D-GlcpNAc-(1->6)]-D-GalNAc-ol > An aminopentasaccharide that is 2-acetamido-D-alactitol which has been glycosylated at positions 3 and 6 by 2-acetamido-β-D-glucopyranosyl and α-L-fucosyl-(1→3)-[β-D-galactopyranosyl-(1→4)]-2-acetamido-β-D-glucopyranosyl groups, respectively. > 3 > WURCS=2.0/4,5,4/[h2112h_2*NCC/3=O][a2122h-1b_1-5_2*NCC/3=O][a1221m-1a_1-5][a2112h-1b_1-5]/1-2-2-3-4/a3-b1_a6-c1_c3-d1_c4-e1; N-[(2R,3R,4R,5S,6R)-2-[(2S,3R,4S,5R)-2-Acetamido-6-[(2R,3R,4R,5S,6R)-3-acetamido-6-(hydroxymethyl)-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-1,4,5-trihydroxyhexan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide > 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->3)-[beta-D-galactopyranosyl-(1->4)]-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->6)]-2-acetamido-2-deoxy-D-galactitol > C36H63N3O25 > 937.896 > 937.37506 > 0 > O1[C@@H]([C@@H](O[C@@H]2O[C@@H]([C@H](O)[C@H](O)[C@H]2O)CO)[C@H](O[C@@H]3O[C@H]([C@@H](O)[C@@H](O)[C@@H]3O)C)[C@@H](NC(=O)C)[C@@H]1OC[C@@H](O)[C@H](O)[C@H](O[C@@H]4O[C@@H]([C@@H](O)[C@H](O)[C@H]4NC(=O)C)CO)[C@@H](NC(=O)C)CO)CO > InChI=1S/C36H63N3O25/c1-10-21(48)26(53)28(55)35(58-10)64-32-20(39-13(4)46)33(61-18(8-43)31(32)63-36-29(56)27(54)24(51)17(7-42)60-36)57-9-15(47)22(49)30(14(5-40)37-11(2)44)62-34-19(38-12(3)45)25(52)23(50)16(6-41)59-34/h10,14-36,40-43,47-56H,5-9H2,1-4H3,(H,37,44)(H,38,45)(H,39,46)/t10-,14-,15+,16+,17+,18+,19+,20+,21+,22-,23+,24-,25+,26+,27-,28-,29+,30+,31+,32+,33+,34-,35-,36-/m0/s1 > DTTWWJOYBBGPPH-AACOTHIWSA-N $$$$