Ketcher 11071613532D 1 1.00000 0.00000 0 84 87 0 1 0 999 V2000 32.2535 -4.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5080 -4.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6132 -4.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.6132 -3.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7679 -5.5486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.7679 -4.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0224 -5.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1275 -5.4988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.1275 -4.5046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2823 -6.9902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2823 -5.9960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.3874 -7.5868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3437 -7.5868 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 24.2995 -7.5868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3437 -6.5429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.3437 -8.6308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2557 -7.5868 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 22.2116 -7.5868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2557 -6.5429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2557 -8.6308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3668 -8.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5215 -7.5868 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6766 -8.0839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6766 -9.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5215 -9.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3668 -9.0781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7817 -7.5868 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7817 -9.5753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5215 -10.5695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2116 -9.5753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.7817 -6.5925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.9971 -4.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.1023 -4.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.2075 -4.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.1023 -3.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.3126 -4.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.4677 -4.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5729 -4.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.6781 -4.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.5729 -3.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.7832 -4.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9379 -4.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0431 -4.0572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.1483 -4.5544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0431 -3.0630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2116 -10.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3506 -11.0666 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0726 -11.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9207 -10.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9207 -11.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0596 -9.5753 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0596 -11.5637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1985 -10.0724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1985 -11.0666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7817 -11.5639 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 17.0596 -12.5580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3374 -11.5637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3374 -9.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4765 -10.0724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4765 -12.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4765 -13.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6154 -11.5637 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6154 -13.5522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7543 -12.0609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7543 -13.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3374 -13.5524 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6153 -14.5465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8932 -13.5522 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8932 -11.5639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0322 -12.0610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7816 -12.5580 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6427 -13.0552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9205 -13.0551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7542 -15.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7542 -16.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8932 -14.5466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8932 -16.5351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0322 -15.0437 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0322 -16.0380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6153 -16.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8931 -17.5293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1712 -16.5351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1712 -14.5466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3100 -15.0437 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 3 4 1 0 0 0 3 2 1 0 0 0 5 6 1 0 0 0 6 3 2 0 0 0 5 7 1 0 0 0 8 9 1 0 0 0 8 7 1 0 0 0 10 11 1 0 0 0 11 8 1 0 0 0 10 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 13 15 1 0 0 0 13 16 2 0 0 0 14 17 1 0 0 0 17 18 1 0 0 0 17 19 1 0 0 0 17 20 2 0 0 0 21 18 1 6 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 25 26 1 0 0 0 21 26 1 0 0 0 23 27 1 1 0 0 24 28 1 6 0 0 25 29 1 1 0 0 26 30 1 6 0 0 27 31 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 2 0 0 0 38 40 1 0 0 0 39 41 1 0 0 0 34 36 1 0 0 0 32 33 1 0 0 0 33 34 2 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 2 0 0 0 43 45 1 0 0 0 44 1 1 0 0 0 33 35 1 0 0 0 30 46 1 0 0 0 46 47 2 0 0 0 46 48 1 0 0 0 49 50 1 0 0 0 49 51 1 0 0 0 50 52 1 0 0 0 51 53 1 0 0 0 52 54 1 0 0 0 53 54 1 0 0 0 49 28 1 1 0 0 50 55 1 6 0 0 52 56 1 1 0 0 54 57 1 6 0 0 53 58 1 1 0 0 59 58 1 0 0 0 60 61 1 0 0 0 60 62 1 0 0 0 61 63 1 0 0 0 62 64 1 0 0 0 63 65 1 0 0 0 64 65 1 0 0 0 60 57 1 1 0 0 61 66 1 1 0 0 63 67 1 1 0 0 65 68 1 6 0 0 64 69 1 1 0 0 70 69 1 0 0 0 55 71 1 0 0 0 71 72 1 0 0 0 71 73 2 0 0 0 74 75 1 0 0 0 74 76 1 0 0 0 75 77 1 0 0 0 76 78 1 0 0 0 77 79 1 0 0 0 78 79 1 0 0 0 74 67 1 6 0 0 75 80 1 1 0 0 77 81 1 1 0 0 79 82 1 6 0 0 78 83 1 1 0 0 84 83 1 0 0 0 M CHG 2 15 -1 19 -1 M STY 1 1 SRU M SLB 1 1 1 M SCN 1 1 HT M SMT 1 n M SAL 1 5 2 3 4 5 6 M SBL 1 2 1 6 M SDI 1 4 31.4997 -3.6599 32.2619 -4.9518 M SDI 1 4 29.7763 -6.4183 29.0141 -5.1264 M END > CHEBI:132510 > alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc(PP-Dol)(2-) > An α-D-Man-(1→3)-β-D-Man-(1→4)-β-D-GlcNAc-(1→4)-D-GlcNAc(PP-Dol)(2−) in which the anomeric centre has α-configuration. > 3 > alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol(2-); alpha-D-Man-(1->3)-beta-D-Man-(1->4)-beta-D-GlcNAc-(1->4)-alpha-D-GlcNAc-diphosphodolichol > alpha-D-mannopyranosyl-(1->3)-beta-D-mannopyranosyl-(1->4)-2-acetamido-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-acetamido-2-deoxy-alpha-D-glucopyranosyl dolichyl diphosphate > (C5H8)n.C48H82N2O27P2 > -2 > CPD-5161 $$$$