Accord 08271317182D 141148 0 0 0 0 0 0 0 0999 V2000 24.3847 8.4520 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.7743 8.8033 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.1638 8.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7375 7.8416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 24.0318 7.8416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9953 8.8044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3924 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.3924 6.7749 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7821 7.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1066 9.3789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4341 9.3923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.1673 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5520 7.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9369 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3216 7.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7064 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.0911 7.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4759 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8607 7.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2454 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6303 7.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0151 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3999 7.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7846 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1695 7.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5542 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9390 7.8334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3237 7.4808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5484 8.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9331 8.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3179 8.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7027 8.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0875 8.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4723 8.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8570 8.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2419 8.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6266 8.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0114 8.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3961 8.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7809 8.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1657 8.8033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5505 8.4520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 10.6889 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.4413 10.4740 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.6562 10.6985 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8662 10.4915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.4578 11.1988 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.2430 10.9744 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 10.3444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.2713 10.6510 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0188 10.9454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.0330 11.1813 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 21.4601 10.7305 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.6749 10.9550 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8849 10.7480 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.4766 11.4552 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 20.2617 11.2309 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8966 11.4417 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7712 10.6008 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2900 10.9074 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4674 11.9153 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0519 11.4378 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.3225 11.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.0376 12.5169 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 18.2524 12.7414 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4624 12.5345 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.0541 13.2417 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 17.8393 13.0174 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 17.4741 13.2282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3487 12.3873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8675 12.6939 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.0449 13.7017 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.6293 13.2243 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.9000 13.5142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.1799 12.7799 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.5367 12.2766 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.2399 11.5159 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.4276 11.6011 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.0707 12.1046 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.6855 11.9331 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8799 12.1463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7611 11.1283 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0501 11.8641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3677 12.8654 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7044 12.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.0735 11.2142 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.4303 10.7110 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1334 9.9502 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3212 10.0355 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9643 10.5389 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5791 10.3674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7735 10.5807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6548 9.5627 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9437 10.2985 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2613 11.2997 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5980 10.8800 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9671 9.6486 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.3239 9.1453 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0270 8.3846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.2149 8.4699 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.8579 8.9732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.4727 8.8018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6670 9.0151 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5484 7.9970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8373 8.7328 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1550 9.7340 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4917 9.3144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8608 8.0829 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.2176 7.5797 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.9207 6.8189 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1085 6.9042 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7515 7.4076 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3664 7.2361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5607 7.4494 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4420 6.4314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7309 7.1672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0486 8.1684 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3853 7.7488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6255 5.7008 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8403 5.9253 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0502 5.7183 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6419 6.4255 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.4271 6.2012 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.0619 6.4121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9365 5.5711 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4554 5.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6327 6.7738 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2172 6.4081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4878 6.6980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8260 5.3988 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0988 5.2033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4703 5.3988 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3237 6.8897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7813 6.5763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7813 5.9600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1859 5.6162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5851 5.9630 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9876 5.6180 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4123 5.9502 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 1 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 3 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 31 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 6 43 1 0 0 0 0 44 45 1 1 0 0 0 46 45 1 1 0 0 0 47 46 1 1 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 48 53 1 0 0 0 0 44 53 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 49 54 1 0 0 0 0 43 44 1 0 0 0 0 55 56 1 1 0 0 0 57 56 1 1 0 0 0 58 57 1 1 0 0 0 58 59 1 0 0 0 0 59 60 1 0 0 0 0 59 64 1 0 0 0 0 55 64 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 58 63 1 0 0 0 0 60 65 1 0 0 0 0 52 55 1 0 0 0 0 66 67 1 1 0 0 0 68 67 1 1 0 0 0 69 68 1 1 0 0 0 69 70 1 0 0 0 0 70 71 1 0 0 0 0 70 75 1 0 0 0 0 66 75 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 71 76 1 0 0 0 0 63 66 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 73 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 84 88 1 0 0 0 0 99100 1 1 0 0 0 101100 1 1 0 0 0 102101 1 1 0 0 0 102103 1 0 0 0 0 103104 1 0 0 0 0 103108 1 0 0 0 0 99108 1 0 0 0 0 100105 1 0 0 0 0 101106 1 0 0 0 0 102107 1 0 0 0 0 104109 1 0 0 0 0 95 99 1 0 0 0 0 110111 1 1 0 0 0 112111 1 1 0 0 0 113112 1 1 0 0 0 113114 1 0 0 0 0 114115 1 0 0 0 0 114119 1 0 0 0 0 110119 1 0 0 0 0 111116 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 115120 1 0 0 0 0 106110 1 0 0 0 0 121122 1 1 0 0 0 123122 1 1 0 0 0 124123 1 1 0 0 0 124125 1 0 0 0 0 125126 1 0 0 0 0 125130 1 0 0 0 0 121130 1 0 0 0 0 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 126131 1 0 0 0 0 127132 1 0 0 0 0 132133 1 0 0 0 0 132134 2 0 0 0 0 117121 1 0 0 0 0 28135 1 0 0 0 0 135136 1 0 0 0 0 136137 1 0 0 0 0 137138 1 0 0 0 0 138139 1 0 0 0 0 139140 1 0 0 0 0 140141 1 0 0 0 0 M END > LMSP0502AX06 > > GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C94H170N2O43 > 2015.12 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260353 > - > - > Active (generated by computational methods) > - $$$$