Accord 08271317192D 171180 0 0 0 0 0 0 0 0999 V2000 24.5493 6.6811 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.1018 6.9387 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6542 6.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8080 6.2336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2906 6.2336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9969 6.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8218 5.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8218 5.4516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3744 6.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3454 7.3606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8524 7.3705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.9236 5.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4726 6.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0215 5.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5705 6.2276 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1195 5.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2030 6.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7520 6.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3009 6.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8499 6.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3988 6.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9479 6.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4968 6.9386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0457 6.6811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1195 5.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0457 6.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5515 5.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0573 6.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5631 5.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0689 6.2382 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5747 5.9528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6296 5.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1397 5.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6498 5.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1600 5.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6701 5.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1802 5.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6903 5.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2004 5.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7105 5.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2206 5.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7308 5.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2409 5.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7510 5.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2611 5.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7712 5.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2813 5.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7914 5.4306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3015 5.1478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.3196 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5908 8.1622 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0156 8.3267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4370 8.1750 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1379 8.6931 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7130 8.5288 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4455 8.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0861 8.0673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0012 8.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8163 8.5075 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2917 8.6803 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7575 8.8927 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4071 8.3501 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.8320 8.5145 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2533 8.3629 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.9542 8.8809 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.5293 8.7166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2619 8.8711 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9025 8.2551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8176 8.4797 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9474 9.2179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1080 8.8682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5738 9.0805 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2194 7.9446 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6443 8.1090 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0656 7.9574 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.7665 8.4754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.3417 8.3111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0742 8.4655 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7148 7.8496 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6299 8.0742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4450 8.2898 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9204 8.4626 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3862 8.6750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.6339 7.7234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8337 7.5802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3733 7.7234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0358 8.1324 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4606 8.2969 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8820 8.1453 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.5828 8.6633 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.1580 8.4990 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8905 8.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5311 8.0375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4462 8.2621 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5761 9.0003 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7367 8.6505 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2025 8.8629 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8481 7.7269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2730 7.8914 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6943 7.7397 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.3952 8.2578 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.9703 8.0935 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.7029 8.2479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3435 7.6320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2586 7.8565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0737 8.0722 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5491 8.2450 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0148 8.4574 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2625 7.5057 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4624 7.3626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0020 7.5057 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6644 7.9148 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0893 8.0792 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5106 7.9276 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2115 8.4456 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7867 8.2813 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5192 8.4358 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1598 7.8198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0749 8.0444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2048 8.7826 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3654 8.4329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8312 8.6452 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4768 7.5093 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.9017 7.6737 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3230 7.5221 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0239 8.0401 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.5990 7.8758 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3316 8.0302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9722 7.4143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8872 7.6389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7023 7.8545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1777 8.0273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6435 8.2397 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8912 7.2881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0910 7.1449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6307 7.2881 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2931 7.6971 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7180 7.8616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1393 7.7100 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.8402 8.2280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4153 8.0637 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.1479 8.2181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7885 7.6022 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7036 7.8268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8335 8.5650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9940 8.2152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4598 8.4276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1055 7.2916 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5303 7.4561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9517 7.3044 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6525 7.8225 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2277 7.6581 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9602 7.8126 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6008 7.1967 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5159 7.4212 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3310 7.6369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8064 7.8097 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2722 8.0221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5199 7.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7197 6.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2593 7.0704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3836 7.5759 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.3890 7.0565 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8895 6.9140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4239 6.4728 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5268 7.0563 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.2850 6.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6631 7.3364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7970 6.5540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5986 6.1774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0263 7.1989 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 129134 1 0 0 0 0 134135 1 0 0 0 0 134136 2 0 0 0 0 119123 1 0 0 0 0 137138 1 1 0 0 0 139138 1 1 0 0 0 140139 1 1 0 0 0 140141 1 0 0 0 0 141142 1 0 0 0 0 141146 1 0 0 0 0 137146 1 0 0 0 0 138143 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 142147 1 0 0 0 0 131137 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 154159 1 0 0 0 0 159160 1 0 0 0 0 159161 2 0 0 0 0 144148 1 0 0 0 0 162163 1 1 0 0 0 163164 1 1 0 0 0 165164 1 1 0 0 0 165166 1 0 0 0 0 166167 1 0 0 0 0 166171 1 0 0 0 0 163168 1 0 0 0 0 164169 1 0 0 0 0 165170 1 0 0 0 0 162171 1 0 0 0 0 130162 1 0 0 0 0 M END > LMSP0505CC08 > > GlcNAcbeta1-3Galbeta1-4(Fucalpha1-3)GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C112H197N5O52 > 2444.29 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261411 > - > - > Active (generated by computational methods) > - $$$$