Ketcher 08061909472D 1 1.00000 0.00000 0 71 75 0 1 0 999 V2000 34.3517 -72.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3517 -73.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2148 -72.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.4824 -72.4815 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.4824 -74.4940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2148 -71.4840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6190 -72.9773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.6190 -73.9865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4765 -75.4915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.0900 -70.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3573 -70.9765 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7557 -72.4815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7498 -74.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.0900 -69.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.9533 -71.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3573 -69.9673 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4882 -71.4722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 31.7557 -71.4840 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.8923 -74.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.9533 -69.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.2148 -69.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.4940 -69.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.8923 -75.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0173 -74.4825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.8166 -68.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4940 -68.4739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0173 -76.5008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.7557 -76.4832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1542 -74.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.8166 -67.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.6799 -69.4831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0115 -77.4925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1542 -75.9874 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2906 -74.4825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.6799 -67.4706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.9591 -67.4706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.5549 -68.9756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.6799 -70.4806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1542 -77.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2906 -76.4832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2906 -73.4906 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.5549 -67.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.9591 -66.4731 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.4184 -69.4715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.1542 -78.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2790 -77.4925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.4184 -67.4649 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2790 -79.5108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4157 -77.9940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.4157 -78.9974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2790 -80.5025 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5523 -77.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5523 -79.4932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.5523 -76.5008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0206 -79.4936 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 31.0191 -79.4936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5184 -80.3584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5184 -78.6290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.2163 -74.4857 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 36.2148 -74.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7140 -75.3504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7140 -73.6210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.2830 -67.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.1478 -67.4649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 42.1478 -66.4664 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 43.0126 -67.9642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.8772 -67.4649 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 43.0126 -68.9627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.0126 -65.9672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 43.0126 -64.9687 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 43.8772 -66.4664 0.0000 R# 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 1 3 1 1 0 0 1 4 1 0 0 0 2 5 1 0 0 0 6 3 1 1 0 0 4 7 1 0 0 0 5 8 1 0 0 0 5 9 1 1 0 0 6 10 1 0 0 0 6 11 1 0 0 0 7 12 1 1 0 0 8 13 1 6 0 0 10 14 1 0 0 0 10 15 1 6 0 0 11 16 1 0 0 0 11 17 1 1 0 0 12 18 1 0 0 0 19 13 1 1 0 0 14 20 1 1 0 0 14 21 1 0 0 0 16 22 1 1 0 0 19 23 1 0 0 0 19 24 1 0 0 0 25 20 1 6 0 0 22 26 1 0 0 0 23 27 1 0 0 0 23 28 1 6 0 0 24 29 1 0 0 0 25 30 1 0 0 0 25 31 1 0 0 0 27 32 1 1 0 0 27 33 1 0 0 0 29 34 1 1 0 0 30 35 1 0 0 0 30 36 1 1 0 0 31 37 1 0 0 0 31 38 1 1 0 0 39 32 1 1 0 0 33 40 1 1 0 0 34 41 1 0 0 0 35 42 1 0 0 0 36 43 1 0 0 0 37 44 1 6 0 0 39 45 1 0 0 0 39 46 1 0 0 0 42 47 1 1 0 0 45 48 1 0 0 0 46 49 1 0 0 0 48 50 1 0 0 0 48 51 1 1 0 0 49 52 1 1 0 0 50 53 1 6 0 0 52 54 1 0 0 0 7 8 1 0 0 0 16 21 1 0 0 0 29 33 1 0 0 0 37 42 1 0 0 0 49 50 1 0 0 0 45 55 1 6 0 0 55 56 1 0 0 0 56 57 1 0 0 0 56 58 2 0 0 0 2 59 1 6 0 0 59 60 1 0 0 0 60 61 1 0 0 0 60 62 2 0 0 0 47 63 1 0 0 0 63 64 1 0 0 0 64 65 1 6 0 0 64 66 1 0 0 0 66 67 1 0 0 0 66 68 1 1 0 0 65 69 1 0 0 0 69 70 2 0 0 0 69 71 1 0 0 0 M RGP 2 67 1 71 2 M END > CHEBI:144378 > N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-N-acetyl-beta-D-glucosaminyl-(1->3)-beta-D-galactosyl-(1->4)-beta-D-glucosyl-(1<->1')-ceramide > A nLc5Cer where R1 is an undefined sphingoid base and R2 and undefined N-acyl chain. > 2 > beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-GlcNAc-(1->3)-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer; a neolactoside IV(3)-beta-GlcNAc-nLc4Cer > C38H63N3O28R2 > 1009.912 > 1009.35981 > 0 > [C@@H]1([C@@H]([C@H]([C@H](O[C@H]2[C@@H]([C@@H](O[C@H]3[C@@H]([C@H]([C@H](O)[C@H](O3)CO)O)NC(C)=O)[C@@H](O)[C@H](O2)CO)O)[C@H](O1)CO)O)NC(C)=O)O[C@@H]4[C@H]([C@H](O[C@@H]5[C@H](O[C@@H](OC[C@H](NC(=O)*)[C@@H](*)O)[C@@H]([C@H]5O)O)CO)O[C@@H]([C@@H]4O)CO)O $$$$