Accord 08271317192D 158166 0 0 0 0 0 0 0 0999 V2000 24.3418 7.4560 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6884 7.8321 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.0348 7.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7196 6.8024 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.9640 6.8024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9955 7.8332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2795 6.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2795 5.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.6261 6.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0441 8.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3241 8.4627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.9678 6.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3091 6.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6505 6.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9918 6.7937 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3332 6.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.3758 7.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.7172 7.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0585 7.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3998 7.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7411 7.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0826 7.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4238 7.8320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7652 7.4560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3332 5.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7652 6.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0434 6.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3218 6.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6000 6.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8783 6.8092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1567 6.3925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6178 5.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9024 5.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1870 5.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4716 5.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7563 5.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0409 5.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3255 5.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6101 5.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8947 5.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1793 5.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4639 5.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7485 5.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0331 5.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3177 5.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6023 5.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8869 5.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1715 5.6298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4561 5.2168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.8487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4024 9.6189 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5625 9.8590 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7175 9.6376 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.2807 10.3941 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1205 10.1542 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.7300 10.3797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6655 9.4802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0812 9.8082 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8111 10.1231 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9657 10.3755 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1855 10.6856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.2135 9.8932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.3736 10.1334 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5286 9.9120 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0918 10.6685 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.9317 10.4285 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5411 10.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4766 9.7546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8923 10.0825 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0819 11.1605 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7768 10.6498 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.9967 10.9599 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.0188 9.3010 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.1789 9.5412 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3339 9.3198 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8971 10.0763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.7370 9.8363 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.3464 10.0618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2819 9.1624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.6976 9.4903 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4276 9.8052 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5821 10.0576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8020 10.3677 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.1637 8.9780 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4555 8.7690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7832 8.9780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8299 9.5754 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.9901 9.8155 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1450 9.5941 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7082 10.3506 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5481 10.1107 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1575 10.3362 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0930 9.4367 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5087 9.7647 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6984 10.8427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3932 10.3320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.6131 10.6421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6353 8.9832 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7954 9.2233 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9504 9.0020 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.5136 9.7584 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.3534 9.5185 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.9629 9.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8984 8.8446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3140 9.1725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0440 9.4874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1986 9.7398 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4184 10.0499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7801 8.6602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0720 8.4511 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3997 8.6602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4464 9.2575 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6065 9.4977 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7615 9.2763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.3247 10.0328 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1646 9.7928 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7740 10.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7095 9.1189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1252 9.4469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3148 10.5249 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0097 10.0141 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2296 10.3242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0155 11.1937 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4148 11.8279 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5748 12.0675 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.5839 12.9411 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.1846 12.3070 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.9632 12.6999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3107 11.4495 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1139 12.5383 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0417 12.9468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0247 12.0673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5111 12.7313 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1150 11.3510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2597 11.0225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7875 11.5447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4441 12.7169 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.8434 13.3511 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0034 13.5907 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.0125 14.4643 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.6132 13.8301 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3918 14.2231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7393 12.9727 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5425 14.0615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2545 14.8928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4533 13.5905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9397 14.2544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8069 14.1534 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9671 14.3936 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1220 14.1722 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6852 14.9287 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5251 14.6887 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1345 14.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0700 14.0148 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4857 14.3427 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6754 15.4207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3702 14.9100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5901 15.2201 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 97123 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 144148 1 0 0 0 0 M END > LMISSP0505BO08 > > Galbeta1-4GlcNAcbeta1-3(Galalpha1-3Galbeta1-4GlcNAcbeta1-6)Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glcbeta-Cer(d18:1/26:1(17Z)) > C104H184N4O48 > 2257.21 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galbeta1-4GlcNAcbeta1-3Galbeta1-4Glc- (Neolacto series) [SP0505] > - > > - > - > - > - > - > - > - > - > - > 44261299 > - > - > Active (generated by computational methods) > - $$$$