Accord 08271317192D 169178 0 0 0 0 0 0 0 0999 V2000 24.4116 7.1952 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.8275 7.5314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2433 7.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7493 6.6110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0739 6.6110 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9960 7.5324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4620 6.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4620 5.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8779 6.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1455 8.0822 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.5019 8.0951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.2895 6.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7007 6.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1119 6.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5231 6.6032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9344 6.2657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.6542 7.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0654 7.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4767 7.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8879 7.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2990 7.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7104 7.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1215 7.5313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5327 7.1952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9344 5.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5327 6.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8876 6.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2425 6.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5973 6.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9522 6.6170 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3071 6.2445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2949 5.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6554 5.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0160 5.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3765 5.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7370 5.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0975 5.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4580 5.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8185 5.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1790 5.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5395 5.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9000 5.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2605 5.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6210 5.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9815 5.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3420 5.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7025 5.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0630 5.5628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4235 5.1936 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.3341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4658 9.1286 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7150 9.3433 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9596 9.1454 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.5692 9.8216 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3199 9.6071 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9708 9.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8071 9.0047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3908 9.2978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1494 9.5793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0754 9.8049 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3780 10.0821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6152 9.3739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.8645 9.5885 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1091 9.3906 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.7186 10.0669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.4694 9.8524 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.1203 10.0540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9565 9.2499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5403 9.5431 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.7098 10.5067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2248 10.0502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.5275 10.3274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.7595 8.8445 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.0087 9.0592 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2533 8.8613 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.8629 9.5375 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.6136 9.3230 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.2645 9.5246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1008 8.7206 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.6845 9.0137 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4431 9.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3691 9.5208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6718 9.7980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9951 8.5558 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2559 8.3689 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6550 8.5558 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9089 9.0897 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1582 9.3044 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4028 9.1065 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0123 9.7827 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.7631 9.5682 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.4140 9.7698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2502 8.9658 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8340 9.2590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0035 10.2226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5185 9.7661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8212 10.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0532 8.5604 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3024 8.7751 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5470 8.5771 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.1566 9.2534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9074 9.0389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5582 9.2405 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3945 8.4364 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9782 8.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7369 9.0111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6628 9.2367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9655 9.5139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2888 8.2717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5496 8.0848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9487 8.2717 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2026 8.8056 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4519 9.0203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.6965 8.8224 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.3060 9.4986 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0568 9.2841 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7077 9.4857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5439 8.6817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1277 8.9748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2972 9.9385 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8123 9.4819 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1149 9.7592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4702 9.0570 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.8552 8.5758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5713 7.8484 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7947 7.9299 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4096 8.4113 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0413 8.2473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1833 8.4512 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1136 7.4778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4337 8.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6936 9.1387 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0594 8.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2870 10.5364 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7501 11.1033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9991 11.3175 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.0073 12.0983 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.5443 11.5315 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.3464 11.8828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6569 10.7650 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.5871 11.7383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5226 12.1034 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.2952 11.3172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8361 11.9108 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4820 10.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6114 10.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1893 10.8501 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9884 11.8980 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4515 12.4649 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7005 12.6791 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7087 13.4599 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2457 12.8931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0478 13.2444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3583 12.1266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2885 13.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9250 13.8430 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9966 12.6788 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5375 13.2724 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6310 13.1821 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.8803 13.3967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1249 13.1988 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7344 13.8751 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4852 13.6605 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1361 13.8622 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9723 13.0581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5561 13.3513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7256 14.3149 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2406 13.8584 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5433 14.1356 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 5 1 6 0 0 0 1 4 1 1 0 0 0 6 1 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 7 5 1 0 0 0 0 2 10 1 1 0 0 0 2 11 1 6 0 0 0 9 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 3 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 16 25 1 0 0 0 0 24 26 1 0 0 0 0 26 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 25 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 2 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 0 0 0 51 52 1 1 0 0 0 53 52 1 1 0 0 0 54 53 1 1 0 0 0 54 55 1 0 0 0 0 55 56 1 0 0 0 0 55 60 1 0 0 0 0 51 60 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 56 61 1 0 0 0 0 50 51 1 0 0 0 0 62 63 1 1 0 0 0 64 63 1 1 0 0 0 65 64 1 1 0 0 0 65 66 1 0 0 0 0 66 67 1 0 0 0 0 66 71 1 0 0 0 0 62 71 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 72 1 0 0 0 0 59 62 1 0 0 0 0 73 74 1 1 0 0 0 75 74 1 1 0 0 0 76 75 1 1 0 0 0 76 77 1 0 0 0 0 77 78 1 0 0 0 0 77 82 1 0 0 0 0 73 82 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 76 81 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 84 85 1 0 0 0 0 84 86 2 0 0 0 0 69 73 1 0 0 0 0 87 88 1 1 0 0 0 89 88 1 1 0 0 0 90 89 1 1 0 0 0 90 91 1 0 0 0 0 91 92 1 0 0 0 0 91 96 1 0 0 0 0 87 96 1 0 0 0 0 88 93 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 92 97 1 0 0 0 0 81 87 1 0 0 0 0 98 99 1 1 0 0 0 100 99 1 1 0 0 0 101100 1 1 0 0 0 101102 1 0 0 0 0 102103 1 0 0 0 0 102107 1 0 0 0 0 98107 1 0 0 0 0 99104 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 109110 1 0 0 0 0 109111 2 0 0 0 0 94 98 1 0 0 0 0 112113 1 1 0 0 0 114113 1 1 0 0 0 115114 1 1 0 0 0 115116 1 0 0 0 0 116117 1 0 0 0 0 116121 1 0 0 0 0 112121 1 0 0 0 0 113118 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 117122 1 0 0 0 0 106112 1 0 0 0 0 123124 1 1 0 0 0 125124 1 1 0 0 0 126125 1 1 0 0 0 126127 1 0 0 0 0 127128 1 0 0 0 0 127132 1 0 0 0 0 123132 1 0 0 0 0 124129 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 128133 1 0 0 0 0 119123 1 0 0 0 0 134135 1 1 0 0 0 136135 1 1 0 0 0 137136 1 1 0 0 0 137138 1 0 0 0 0 138139 1 0 0 0 0 138143 1 0 0 0 0 134143 1 0 0 0 0 135140 1 0 0 0 0 136141 1 0 0 0 0 137142 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 145146 1 0 0 0 0 145147 2 0 0 0 0 97134 1 0 0 0 0 148149 1 1 0 0 0 150149 1 1 0 0 0 151150 1 1 0 0 0 151152 1 0 0 0 0 152153 1 0 0 0 0 152157 1 0 0 0 0 148157 1 0 0 0 0 149154 1 0 0 0 0 150155 1 0 0 0 0 151156 1 0 0 0 0 153158 1 0 0 0 0 142148 1 0 0 0 0 159160 1 1 0 0 0 161160 1 1 0 0 0 162161 1 1 0 0 0 162163 1 0 0 0 0 163164 1 0 0 0 0 163168 1 0 0 0 0 159168 1 0 0 0 0 160165 1 0 0 0 0 161166 1 0 0 0 0 162167 1 0 0 0 0 164169 1 0 0 0 0 155159 1 0 0 0 0 M END > LMISSP0505CO08 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C110H194N4O53 > 2419.26 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261499 > - > - > Active (generated by computational methods) > - $$$$