Ketcher 09102016222D 1 1.00000 0.00000 0 104111 0 1 0 999 V2000 24.4531 -30.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4531 -31.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5863 -29.5502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5863 -31.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7196 -30.0506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7196 -31.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3199 -29.5502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3199 -31.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5863 -32.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8527 -31.5520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8527 -29.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7871 -27.5484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0535 -30.5511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9203 -28.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9203 -29.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0535 -27.5484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0535 -29.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1867 -28.0489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1867 -29.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7871 -29.5502 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 25.3199 -27.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4531 -28.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.2543 -25.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5207 -28.5493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.3875 -26.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3875 -27.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.5207 -25.5467 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5207 -27.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6539 -26.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6539 -27.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.2543 -27.5484 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.7871 -25.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9203 -26.0471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8527 -28.5493 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8527 -27.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9859 -27.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7196 -27.0479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9860 -26.0470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7196 -26.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8528 -25.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1191 -27.5484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1192 -25.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8528 -24.5457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5863 -25.5467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5863 -24.5458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6521 -25.5464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6520 -27.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2524 -27.0479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3856 -27.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2524 -26.0469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5188 -27.0478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3856 -25.5465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5189 -26.0469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3855 -28.5492 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.3857 -24.5456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5190 -24.0452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5188 -29.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5187 -30.0505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6520 -28.5492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8492 -31.5519 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8500 -33.2855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8518 -31.5520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3514 -32.4188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3514 -30.6851 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3504 -32.4187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3505 -30.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8500 -31.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8518 -33.2855 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.8500 -29.8183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3513 -34.1523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8517 -35.0191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3504 -34.1523 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5516 -29.2513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1211 -27.0480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1212 -26.0471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.9879 -27.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6539 -29.0498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6540 -28.0489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5208 -29.5502 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3200 -32.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1868 -33.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4531 -33.0534 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1868 -34.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4532 -34.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3200 -34.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0536 -32.5528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.0536 -34.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3201 -35.5555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5864 -34.5547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5865 -35.5556 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5208 -34.5546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5208 -32.5529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 27.9204 -33.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7872 -32.5528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9204 -34.0542 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6540 -33.0533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7872 -34.5546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6540 -34.0541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7872 -31.5519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 28.7872 -35.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6540 -36.0559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.6540 -31.0515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.6540 -30.0506 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5208 -31.5519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 4 6 1 0 0 0 5 6 1 0 0 0 1 7 1 1 0 0 2 8 1 1 0 0 4 9 1 1 0 0 6 10 1 6 0 0 5 11 1 1 0 0 14 15 1 0 0 0 14 16 1 0 0 0 15 17 1 0 0 0 16 18 1 0 0 0 17 19 1 0 0 0 18 19 1 0 0 0 14 12 1 1 0 0 15 20 1 6 0 0 17 13 1 1 0 0 19 7 1 6 0 0 18 21 1 1 0 0 22 21 1 0 0 0 25 26 1 0 0 0 25 27 1 0 0 0 26 28 1 0 0 0 27 29 1 0 0 0 28 30 1 0 0 0 29 30 1 0 0 0 25 23 1 0 0 0 26 31 1 6 0 0 28 24 1 1 0 0 30 12 1 6 0 0 29 32 1 1 0 0 33 32 1 0 0 0 11 34 1 0 0 0 35 36 1 0 0 0 35 37 1 0 0 0 36 38 1 0 0 0 37 39 1 0 0 0 38 40 1 0 0 0 39 40 1 0 0 0 35 34 1 6 0 0 36 41 1 1 0 0 38 42 1 1 0 0 40 43 1 6 0 0 39 44 1 1 0 0 45 44 1 0 0 0 48 49 1 0 0 0 48 50 1 0 0 0 49 51 1 0 0 0 50 52 1 0 0 0 51 53 1 0 0 0 52 53 1 0 0 0 48 41 1 1 0 0 49 54 1 6 0 0 51 47 1 1 0 0 53 46 1 6 0 0 52 55 1 1 0 0 56 55 1 0 0 0 57 58 1 0 0 0 57 59 2 0 0 0 54 57 1 0 0 0 62 63 1 0 0 0 62 64 1 0 0 0 63 65 1 0 0 0 64 66 1 0 0 0 65 67 1 0 0 0 66 67 1 0 0 0 62 10 1 1 0 0 63 68 1 6 0 0 65 61 1 1 0 0 67 60 1 6 0 0 66 69 1 1 0 0 70 71 1 0 0 0 70 72 2 0 0 0 68 70 1 0 0 0 69 73 1 0 0 0 74 75 2 0 0 0 74 76 1 0 0 0 31 74 1 0 0 0 77 78 2 0 0 0 77 79 1 0 0 0 20 77 1 0 0 0 80 81 1 0 0 0 80 82 1 0 0 0 81 83 1 0 0 0 82 84 1 0 0 0 83 85 1 0 0 0 84 85 1 0 0 0 80 8 1 6 0 0 81 86 1 1 0 0 83 87 1 1 0 0 85 88 1 6 0 0 84 89 1 1 0 0 90 89 1 0 0 0 93 94 1 0 0 0 93 95 1 0 0 0 94 96 1 0 0 0 95 97 1 0 0 0 96 98 1 0 0 0 97 98 1 0 0 0 93 86 1 1 0 0 94 99 1 6 0 0 96 92 1 1 0 0 98 91 1 6 0 0 97100 1 1 0 0 101100 1 0 0 0 102103 2 0 0 0 102104 1 0 0 0 99102 1 0 0 0 M END > CHEBI:156494 > beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->6)-[beta-D-GlcpNAc-(1->4)]-[beta-D-GlcpNAc-(1->2)-alpha-D-Manp-(1->3)]-beta-D-Manp-(1->4)-beta-D-GlcpNAc-(1->4)-D-GlcpNAc > A branched amino octasaccharide made up from four N-acetyl-β-D-glucosamine residues, two α-D-mannose residues, one β-D-mannose residue and (at the reducing end) one N-acetyl-D-glucosamine residue. > 3 > N-acetyl-beta-D-glucosaminyl-(1->4)-[N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->2)]-[N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->6)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine; N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->6)-[N-acetyl-beta-D-glucosaminyl-(1->4)]-[N-acetyl-beta-D-glucosaminyl-(1->2)-alpha-D-mannosyl-(1->3)]-beta-D-mannosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->4)-N-acetyl-D-glucosamine; GlcNAcbeta1-2Manalpha1-6(GlcNAcbeta1-4)(GlcNAcbeta1-2Manalpha1-3)Manbeta1-4GlcNAcbeta1-4GlcNAc; GlcNAcb1-2Mana1-6(GlcNAcb1-4)(GlcNAcb1-2Mana1-3)Manb1-4GlcNAcb1-4GlcNAc; beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->6)-[beta-D-GlcNAc-(1->4)]-[beta-D-GlcNAc-(1->2)-alpha-D-Man-(1->3)]-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-D-GlcNAc > 2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->2)]-[2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->2)-alpha-D-mannopyranosyl-(1->6)]-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-D-glucopyranose > C58H97N5O41 > 1520.408 > 1519.56590 > 0 > CC(=O)N[C@H]1C(O)O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@@H](O[C@@H]3O[C@H](CO[C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]4O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4NC(C)=O)[C@H](O)[C@@H]3O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]3O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3NC(C)=O)[C@H](O)[C@H]2NC(C)=O)[C@@H]1O > InChI=1S/C58H97N5O41/c1-14(71)59-27-40(84)45(24(11-69)91-51(27)89)99-55-31(63-18(5)75)41(85)46(25(12-70)97-55)101-58-50(104-57-49(43(87)36(80)23(10-68)96-57)103-54-30(62-17(4)74)39(83)34(78)21(8-66)94-54)44(88)47(100-52-28(60-15(2)72)37(81)32(76)19(6-64)92-52)26(98-58)13-90-56-48(42(86)35(79)22(9-67)95-56)102-53-29(61-16(3)73)38(82)33(77)20(7-65)93-53/h19-58,64-70,76-89H,6-13H2,1-5H3,(H,59,71)(H,60,72)(H,61,73)(H,62,74)(H,63,75)/t19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42+,43+,44+,45-,46-,47-,48+,49+,50+,51?,52+,53+,54+,55+,56+,57-,58+/m1/s1 > ZJVQJIOMEHODPK-YNRASLFESA-N > 31537530 $$$$