Accord 08271317182D 139146 0 0 0 0 0 0 0 0999 V2000 24.3848 8.4522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7742 8.8039 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1634 8.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7377 7.8417 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0317 7.8417 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9956 8.8049 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3921 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3921 6.7746 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7816 7.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1067 9.3796 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4340 9.3931 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1665 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5510 7.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9356 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3201 7.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7047 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0892 7.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4738 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8583 7.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2429 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6274 7.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0119 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3965 7.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7810 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1656 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5501 7.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9347 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3192 7.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7038 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0883 7.8335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4729 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5477 8.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9323 8.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3168 8.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7014 8.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0859 8.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4705 8.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8550 8.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2396 8.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6241 8.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0087 8.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3932 8.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7777 8.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1623 8.8038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5468 8.4522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.6890 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4413 10.4741 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6562 10.6986 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8662 10.4916 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4579 11.1989 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2430 10.9745 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8779 11.1853 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7524 10.3445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2714 10.6511 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0189 10.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0330 11.1814 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3038 11.4713 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4602 10.7306 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6751 10.9551 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8851 10.7481 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4767 11.4554 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2619 11.2310 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8968 11.4419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7713 10.6010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2902 10.9076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4675 11.9153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0520 11.4379 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3226 11.7278 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0378 12.5170 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.2526 12.7415 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4626 12.5345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0543 13.2418 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8395 13.0174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4743 13.2283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3489 12.3874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8678 12.6940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0451 13.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6295 13.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9002 13.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1802 12.7799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5370 12.2767 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2401 11.5159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4280 11.6012 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0710 12.1046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6859 11.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8802 12.1464 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7615 11.1284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0505 11.8642 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3680 12.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7048 12.4458 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0739 11.2144 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4308 10.7111 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1338 9.9503 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3217 10.0356 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9647 10.5390 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5795 10.3676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7738 10.5808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6552 9.5628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9441 10.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2618 11.2998 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5985 10.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9676 9.6487 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3244 9.1455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0276 8.3848 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2154 8.4700 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8584 8.9735 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4732 8.8020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6675 9.0152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5489 7.9972 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8378 8.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1554 9.7341 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4921 9.3145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8613 8.0831 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2181 7.5799 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9212 6.8192 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1091 6.9045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7521 7.4078 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3670 7.2364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5613 7.4496 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4426 6.4316 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7315 7.1674 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0491 8.1686 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3859 7.7490 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6260 5.7011 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8409 5.9256 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0509 5.7186 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6425 6.4257 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4277 6.2014 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0627 6.4123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9372 5.5714 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4561 5.8780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6333 6.7740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2178 6.4083 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4885 6.6983 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8266 5.3991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0995 5.2036 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4710 5.3991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4729 6.8369 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8851 6.4974 0.0000 C 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 16 17 1 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 24 25 2 0 0 0 0 25 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 3 32 2 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 43 44 1 0 0 0 0 44 45 1 0 0 0 0 6 46 1 0 0 0 0 47 48 1 1 0 0 0 49 48 1 1 0 0 0 50 49 1 1 0 0 0 50 51 1 0 0 0 0 51 52 1 0 0 0 0 51 56 1 0 0 0 0 47 56 1 0 0 0 0 48 53 1 0 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 52 57 1 0 0 0 0 46 47 1 0 0 0 0 58 59 1 1 0 0 0 60 59 1 1 0 0 0 61 60 1 1 0 0 0 61 62 1 0 0 0 0 62 63 1 0 0 0 0 62 67 1 0 0 0 0 58 67 1 0 0 0 0 59 64 1 0 0 0 0 60 65 1 0 0 0 0 61 66 1 0 0 0 0 63 68 1 0 0 0 0 55 58 1 0 0 0 0 69 70 1 1 0 0 0 71 70 1 1 0 0 0 72 71 1 1 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 73 78 1 0 0 0 0 69 78 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 72 77 1 0 0 0 0 74 79 1 0 0 0 0 66 69 1 0 0 0 0 80 81 1 1 0 0 0 82 81 1 1 0 0 0 83 82 1 1 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 84 89 1 0 0 0 0 80 89 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 83 88 1 0 0 0 0 85 90 1 0 0 0 0 76 80 1 0 0 0 0 91 92 1 1 0 0 0 93 92 1 1 0 0 0 94 93 1 1 0 0 0 94 95 1 0 0 0 0 95 96 1 0 0 0 0 95100 1 0 0 0 0 91100 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 94 99 1 0 0 0 0 96101 1 0 0 0 0 87 91 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 98102 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 109113 1 0 0 0 0 124125 1 1 0 0 0 126125 1 1 0 0 0 127126 1 1 0 0 0 127128 1 0 0 0 0 128129 1 0 0 0 0 128133 1 0 0 0 0 124133 1 0 0 0 0 125130 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 129134 1 0 0 0 0 130135 1 0 0 0 0 135136 1 0 0 0 0 135137 2 0 0 0 0 120124 1 0 0 0 0 31138 1 0 0 0 0 138139 1 0 0 0 0 M END > LMISSP0502AX07 > > GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C92H164N2O43 > 1985.07 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260354 > - > - > Active (generated by computational methods) > - $$$$