Accord 08271317182D 124130 0 0 0 0 0 0 0 0999 V2000 24.2673 7.2385 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5397 7.6576 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8117 7.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6878 6.5109 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8466 6.5109 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9952 7.6588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0844 6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0844 5.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3568 6.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9358 8.3436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1340 8.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.6237 6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.8903 6.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1568 6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4234 6.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6900 6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9565 6.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2231 6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4896 6.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7562 6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0227 6.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2893 6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5558 6.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8224 6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0890 6.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3555 6.0808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6221 6.5013 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0780 7.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3445 7.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6111 7.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8777 7.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1442 7.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4108 7.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6773 7.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9439 7.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2104 7.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4770 7.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7435 7.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0101 7.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2768 7.6575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5433 7.2385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.9026 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3345 9.6467 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.3993 9.9141 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4583 9.6676 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 21.9719 10.5099 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9072 10.2427 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.4723 10.4939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5140 9.4923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.7498 9.8575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4491 10.2081 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8482 10.4892 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9795 10.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7836 9.9522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.8484 10.2196 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9074 9.9731 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.4210 10.8154 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.3562 10.5482 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 18.9213 10.7994 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.9630 9.7978 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1988 10.1630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4101 11.3634 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2973 10.7947 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4286 11.1400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7446 11.1074 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8094 11.3748 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8684 11.1283 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.3820 11.9707 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3172 11.7035 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.8823 11.9546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9240 10.9530 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.1598 11.3182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3710 12.3855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2583 11.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3896 12.2952 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7924 10.7478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1173 10.5150 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3687 10.7478 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1872 10.4480 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2520 10.7154 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3110 10.4689 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.8246 11.3113 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7598 11.0441 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.3249 11.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3666 10.2936 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6024 10.6588 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8137 11.8592 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7009 11.2905 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8322 11.6358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7834 10.7612 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.0173 10.1618 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6637 9.2556 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.6963 9.3572 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.4622 9.9568 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.0035 9.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4260 10.0065 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0935 8.7940 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.2466 9.6704 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8160 10.8630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0260 10.3631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1209 7.9237 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1857 8.1912 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2447 7.9446 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7583 8.7870 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6936 8.5198 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2587 8.7709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3004 7.7694 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5362 8.1345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7474 9.2018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6346 8.7662 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7660 9.1115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1687 7.5641 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4937 7.3313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7451 7.5641 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8548 10.2936 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8636 9.4490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.0513 9.2173 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2942 8.4998 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.4615 9.4487 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 11.0683 9.0473 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3092 9.9042 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9010 8.6319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5783 8.0195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2738 9.6805 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 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 3 28 2 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 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 6 42 1 0 0 0 0 43 44 1 1 0 0 0 45 44 1 1 0 0 0 46 45 1 1 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 47 52 1 0 0 0 0 43 52 1 0 0 0 0 44 49 1 0 0 0 0 45 50 1 0 0 0 0 46 51 1 0 0 0 0 48 53 1 0 0 0 0 42 43 1 0 0 0 0 54 55 1 1 0 0 0 56 55 1 1 0 0 0 57 56 1 1 0 0 0 57 58 1 0 0 0 0 58 59 1 0 0 0 0 58 63 1 0 0 0 0 54 63 1 0 0 0 0 55 60 1 0 0 0 0 56 61 1 0 0 0 0 57 62 1 0 0 0 0 59 64 1 0 0 0 0 51 54 1 0 0 0 0 65 66 1 1 0 0 0 67 66 1 1 0 0 0 68 67 1 1 0 0 0 68 69 1 0 0 0 0 69 70 1 0 0 0 0 69 74 1 0 0 0 0 65 74 1 0 0 0 0 66 71 1 0 0 0 0 67 72 1 0 0 0 0 68 73 1 0 0 0 0 70 75 1 0 0 0 0 71 76 1 0 0 0 0 76 77 1 0 0 0 0 76 78 2 0 0 0 0 62 65 1 0 0 0 0 79 80 1 1 0 0 0 81 80 1 1 0 0 0 82 81 1 1 0 0 0 82 83 1 0 0 0 0 83 84 1 0 0 0 0 83 88 1 0 0 0 0 79 88 1 0 0 0 0 80 85 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 84 89 1 0 0 0 0 72 79 1 0 0 0 0 90 91 1 1 0 0 0 92 91 1 1 0 0 0 93 92 1 1 0 0 0 93 94 1 0 0 0 0 94 95 1 0 0 0 0 94 99 1 0 0 0 0 90 99 1 0 0 0 0 91 96 1 0 0 0 0 92 97 1 0 0 0 0 93 98 1 0 0 0 0 95100 1 0 0 0 0 86 90 1 0 0 0 0 101102 1 1 0 0 0 103102 1 1 0 0 0 104103 1 1 0 0 0 104105 1 0 0 0 0 105106 1 0 0 0 0 105110 1 0 0 0 0 101110 1 0 0 0 0 102107 1 0 0 0 0 103108 1 0 0 0 0 104109 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 112113 1 0 0 0 0 112114 2 0 0 0 0 97101 1 0 0 0 0 115116 1 1 0 0 0 116117 1 1 0 0 0 118117 1 1 0 0 0 118119 1 0 0 0 0 119120 1 0 0 0 0 119124 1 0 0 0 0 116121 1 0 0 0 0 117122 1 0 0 0 0 118123 1 0 0 0 0 115124 1 0 0 0 0 85115 1 0 0 0 0 M END > LMISSP0503AL02 > > GalNAcbeta1-3Galalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C82H147N3O37 > 1765.97 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > GalNAcbeta1-4Galbeta1-4Glc- (Ganglio series) [SP0503] > - > > - > - > - > - > - > - > - > - > - > 44260573 > - > - > Active (generated by computational methods) > - $$$$