Accord 08271317192D 166175 0 0 0 0 0 0 0 0999 V2000 24.5422 6.7067 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0876 6.9683 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6330 6.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.8049 6.2521 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.2794 6.2521 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9969 6.9691 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8032 5.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8032 5.4578 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3487 6.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.3351 7.3969 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8343 7.4070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8908 5.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4327 6.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9745 5.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5163 6.2460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0582 5.9834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1746 6.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7165 6.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2583 6.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8002 6.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3419 6.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8839 6.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4257 6.9683 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9675 6.7067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0582 5.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9675 6.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4655 5.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9635 6.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4615 5.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9594 6.2568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4575 5.9669 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5606 5.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0630 5.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5654 5.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0678 5.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5701 5.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0725 5.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5749 5.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0773 5.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5796 5.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0820 5.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5844 5.1492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0868 5.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 8.3711 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.5843 8.2112 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 24.0001 8.3782 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4123 8.2242 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 23.1085 8.7505 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6927 8.5835 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4210 8.7404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0717 8.1148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9697 8.3429 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7818 8.5619 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.2805 8.7375 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.7379 8.9532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3661 8.4020 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.7819 8.5691 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.1941 8.4151 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.8903 8.9413 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.4745 8.7744 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 21.2028 8.9312 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8536 8.3056 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7515 8.5337 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8835 9.2836 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0624 8.9283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5197 9.1440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1440 7.9901 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5597 8.1572 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9720 8.0032 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6681 8.5294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.2523 8.3624 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9806 8.5193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6314 7.8937 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.5293 8.1218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3415 8.3408 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.8402 8.5164 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2975 8.7321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5491 7.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7521 7.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2845 7.7654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9258 8.1809 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.3416 8.3480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7538 8.1940 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4499 8.7202 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0342 8.5533 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7625 8.7102 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4132 8.0845 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3112 8.3126 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4431 9.0625 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6220 8.7072 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0794 8.9229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7036 7.7690 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1194 7.9361 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5316 7.7821 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.2278 8.3083 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8120 8.1414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5403 8.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1910 7.6726 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.0890 7.9007 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9012 8.1197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3998 8.2953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8572 8.5110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1088 7.5444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3118 7.3989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8441 7.5444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4855 7.9599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.9012 8.1269 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3134 7.9729 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0096 8.4991 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.5938 8.3322 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3221 8.4891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9729 7.8634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8708 8.0915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.0028 8.8414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1817 8.4861 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6390 8.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2633 7.5479 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6791 7.7150 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.0913 7.5610 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.7874 8.0872 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3716 7.9203 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1000 8.0772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7507 7.4515 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6486 7.6796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4608 7.8987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9595 8.0742 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4168 8.2899 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6684 7.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8714 7.1778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4038 7.3233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0451 7.7388 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4609 7.9058 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8731 7.7518 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.5693 8.2780 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1535 8.1111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.8818 8.2680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5325 7.6423 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4305 7.8705 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5624 8.6203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7413 8.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1987 8.4808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9189 7.9344 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4403 7.5600 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2194 6.9939 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6151 7.0574 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0935 7.4319 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.8070 7.3043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6956 7.4630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8632 6.7055 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3342 7.2530 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3146 7.9980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8210 7.6858 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2233 9.0856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.8055 9.5267 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2212 9.6934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.2275 10.3010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.6454 9.8599 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4914 10.1333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7331 9.2635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.9006 10.0208 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8504 10.3050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2297 9.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8725 10.1551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5970 9.1950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6976 8.9665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3692 9.3297 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 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 6 44 1 0 0 0 0 45 46 1 1 0 0 0 47 46 1 1 0 0 0 48 47 1 1 0 0 0 48 49 1 0 0 0 0 49 50 1 0 0 0 0 49 54 1 0 0 0 0 45 54 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 0 0 0 0 50 55 1 0 0 0 0 44 45 1 0 0 0 0 56 57 1 1 0 0 0 58 57 1 1 0 0 0 59 58 1 1 0 0 0 59 60 1 0 0 0 0 60 61 1 0 0 0 0 60 65 1 0 0 0 0 56 65 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 59 64 1 0 0 0 0 61 66 1 0 0 0 0 53 56 1 0 0 0 0 67 68 1 1 0 0 0 69 68 1 1 0 0 0 70 69 1 1 0 0 0 70 71 1 0 0 0 0 71 72 1 0 0 0 0 71 76 1 0 0 0 0 67 76 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 78 79 1 0 0 0 0 78 80 2 0 0 0 0 63 67 1 0 0 0 0 81 82 1 1 0 0 0 83 82 1 1 0 0 0 84 83 1 1 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 85 90 1 0 0 0 0 81 90 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 86 91 1 0 0 0 0 75 81 1 0 0 0 0 92 93 1 1 0 0 0 94 93 1 1 0 0 0 95 94 1 1 0 0 0 95 96 1 0 0 0 0 96 97 1 0 0 0 0 96101 1 0 0 0 0 92101 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 95100 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 103104 1 0 0 0 0 103105 2 0 0 0 0 88 92 1 0 0 0 0 106107 1 1 0 0 0 108107 1 1 0 0 0 109108 1 1 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 110115 1 0 0 0 0 106115 1 0 0 0 0 107112 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 111116 1 0 0 0 0 100106 1 0 0 0 0 117118 1 1 0 0 0 119118 1 1 0 0 0 120119 1 1 0 0 0 120121 1 0 0 0 0 121122 1 0 0 0 0 121126 1 0 0 0 0 117126 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 120125 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 128129 1 0 0 0 0 128130 2 0 0 0 0 113117 1 0 0 0 0 131132 1 1 0 0 0 133132 1 1 0 0 0 134133 1 1 0 0 0 134135 1 0 0 0 0 135136 1 0 0 0 0 135140 1 0 0 0 0 131140 1 0 0 0 0 132137 1 0 0 0 0 133138 1 0 0 0 0 134139 1 0 0 0 0 136141 1 0 0 0 0 125131 1 0 0 0 0 142143 1 1 0 0 0 144143 1 1 0 0 0 145144 1 1 0 0 0 145146 1 0 0 0 0 146147 1 0 0 0 0 146151 1 0 0 0 0 142151 1 0 0 0 0 143148 1 0 0 0 0 144149 1 0 0 0 0 145150 1 0 0 0 0 147152 1 0 0 0 0 138142 1 0 0 0 0 153154 1 1 0 0 0 155154 1 1 0 0 0 156155 1 1 0 0 0 156157 1 0 0 0 0 157158 1 0 0 0 0 157162 1 0 0 0 0 153162 1 0 0 0 0 154159 1 0 0 0 0 155160 1 0 0 0 0 156161 1 0 0 0 0 158163 1 0 0 0 0 159164 1 0 0 0 0 164165 1 0 0 0 0 164166 2 0 0 0 0 116153 1 0 0 0 0 M END > LMISSP0505BW03 > > Galalpha1-3Galbeta1-4GlcNAcbeta1-3(GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C106H187N5O53 > 2378.21 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261358 > - > - > Active (generated by computational methods) > - $$$$