Accord 08271317192D 148156 0 0 0 0 0 0 0 0999 V2000 24.3417 7.4547 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6881 7.8309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0344 7.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7195 6.8010 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9638 6.8010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2792 6.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2792 5.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6256 6.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0439 8.4472 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3238 8.4616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9672 6.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3084 6.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6496 6.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9908 6.7923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3321 6.4147 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3753 7.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7165 7.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0577 7.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3989 7.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7400 7.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0814 7.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4225 7.8308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7637 7.4547 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3321 5.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7637 6.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0418 6.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3201 6.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5982 6.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8763 6.8077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1545 6.3910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6166 5.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9010 5.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1855 5.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4700 5.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7544 5.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0389 5.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3233 5.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6078 5.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8479 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4023 9.6180 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5622 9.8582 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7170 9.6368 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2801 10.3934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1202 10.1534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7295 10.3790 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6652 9.4793 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0806 9.8074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8105 10.1223 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9655 10.3748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1852 10.6849 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2128 9.8924 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3727 10.1326 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5275 9.9112 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0906 10.6678 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9307 10.4278 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5400 10.6534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4757 9.7538 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8911 10.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0808 11.1600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7759 10.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9957 10.9593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0174 9.3001 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1774 9.5403 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3322 9.3189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8953 10.0755 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7353 9.8355 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3447 10.0611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2804 9.1614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6957 9.4895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4257 9.8044 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5806 10.0569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8004 10.3670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1621 8.9771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4540 8.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7816 8.9771 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8279 9.5745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9879 9.8147 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1427 9.5933 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7058 10.3499 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5458 10.1099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1552 10.3355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0909 9.4359 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5062 9.7639 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6959 10.8421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3911 10.3313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6108 10.6414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6326 8.9822 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7926 9.2224 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9474 9.0010 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5105 9.7576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3505 9.5176 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9599 9.7432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8956 8.8435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3109 9.1716 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0408 9.4865 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1958 9.7389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4155 10.0491 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7773 8.6592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0692 8.4500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3968 8.6592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4431 9.2566 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6031 9.4968 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7579 9.2754 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3210 10.0320 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1610 9.7920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7704 10.0176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7061 9.1179 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1214 9.4460 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3111 10.5242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0063 10.0134 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2260 10.3235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0131 11.1932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4123 11.8275 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5721 12.0672 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5812 12.9409 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1821 12.3066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9606 12.6997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3082 11.4490 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1111 12.5380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0389 12.9466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0223 12.0669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5086 12.7310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1125 11.3505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2572 11.0220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7849 11.5442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4412 12.7167 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8404 13.3510 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0002 13.5907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0093 14.4644 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6102 13.8301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3887 14.2232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7362 12.9725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5392 14.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2513 14.8930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4504 13.5904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9367 14.2545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8035 14.1535 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9635 14.3936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1183 14.1722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6814 14.9289 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5214 14.6888 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1308 14.9144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0665 14.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4818 14.3428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6715 15.4210 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3667 14.9102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5864 15.2204 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 6 40 1 0 0 0 0 41 42 1 1 0 0 0 43 42 1 1 0 0 0 44 43 1 1 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 45 50 1 0 0 0 0 41 50 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 44 49 1 0 0 0 0 46 51 1 0 0 0 0 40 41 1 0 0 0 0 52 53 1 1 0 0 0 54 53 1 1 0 0 0 55 54 1 1 0 0 0 55 56 1 0 0 0 0 56 57 1 0 0 0 0 56 61 1 0 0 0 0 52 61 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 55 60 1 0 0 0 0 57 62 1 0 0 0 0 49 52 1 0 0 0 0 63 64 1 1 0 0 0 65 64 1 1 0 0 0 66 65 1 1 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 67 72 1 0 0 0 0 63 72 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 66 71 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 2 0 0 0 0 59 63 1 0 0 0 0 77 78 1 1 0 0 0 79 78 1 1 0 0 0 80 79 1 1 0 0 0 80 81 1 0 0 0 0 81 82 1 0 0 0 0 81 86 1 0 0 0 0 77 86 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 80 85 1 0 0 0 0 82 87 1 0 0 0 0 71 77 1 0 0 0 0 88 89 1 1 0 0 0 90 89 1 1 0 0 0 91 90 1 1 0 0 0 91 92 1 0 0 0 0 92 93 1 0 0 0 0 92 97 1 0 0 0 0 88 97 1 0 0 0 0 89 94 1 0 0 0 0 90 95 1 0 0 0 0 91 96 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 99100 1 0 0 0 0 99101 2 0 0 0 0 84 88 1 0 0 0 0 102103 1 1 0 0 0 104103 1 1 0 0 0 105104 1 1 0 0 0 105106 1 0 0 0 0 106107 1 0 0 0 0 106111 1 0 0 0 0 102111 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 105110 1 0 0 0 0 107112 1 0 0 0 0 96102 1 0 0 0 0 113114 1 1 0 0 0 115114 1 1 0 0 0 116115 1 1 0 0 0 116117 1 0 0 0 0 117118 1 0 0 0 0 117122 1 0 0 0 0 113122 1 0 0 0 0 114119 1 0 0 0 0 115120 1 0 0 0 0 116121 1 0 0 0 0 118123 1 0 0 0 0 119124 1 0 0 0 0 124125 1 0 0 0 0 124126 2 0 0 0 0 87113 1 0 0 0 0 127128 1 1 0 0 0 129128 1 1 0 0 0 130129 1 1 0 0 0 130131 1 0 0 0 0 131132 1 0 0 0 0 131136 1 0 0 0 0 127136 1 0 0 0 0 128133 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 132137 1 0 0 0 0 121127 1 0 0 0 0 138139 1 1 0 0 0 140139 1 1 0 0 0 141140 1 1 0 0 0 141142 1 0 0 0 0 142143 1 0 0 0 0 142147 1 0 0 0 0 138147 1 0 0 0 0 139144 1 0 0 0 0 140145 1 0 0 0 0 141146 1 0 0 0 0 143148 1 0 0 0 0 134138 1 0 0 0 0 M END > LMISSP0505BO01 > > Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C94H166N4O48 > 2119.07 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261292 > - > - > Active (generated by computational methods) > - $$$$