Accord 08271317192D 117122 0 0 0 0 0 0 0 0999 V2000 21.4557 7.8249 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.7036 8.2579 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9512 7.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8906 7.0727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.0208 7.0727 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 22.2082 8.2591 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2329 6.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2329 5.7581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4808 7.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1130 8.9671 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2843 8.9838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.7230 6.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9649 7.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2067 6.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4485 7.0626 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6905 6.6281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1927 8.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4345 7.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6764 8.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9182 7.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1599 8.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4020 7.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6437 8.2578 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8855 7.8249 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6905 5.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8855 7.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0547 6.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2241 7.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3933 6.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5625 7.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7319 6.6008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8670 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0435 5.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2200 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3966 5.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5731 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7496 5.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9262 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1027 5.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2792 5.2475 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4558 5.7229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2133 10.5792 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5254 10.3146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.5587 10.5910 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.5860 10.3362 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.0832 11.2069 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 20.0499 10.9307 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.6004 11.1903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6772 10.1550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.8535 10.5325 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5427 10.8950 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0227 11.1855 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1248 11.5424 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8548 10.6304 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.8880 10.9068 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9153 10.6520 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.4125 11.5227 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.3793 11.2465 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.9297 11.5061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0066 10.4708 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1829 10.8483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4012 12.0891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.3521 11.5013 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4541 11.8582 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.3362 10.9541 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.5443 10.3345 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.1788 9.3978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.1788 9.5027 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.9705 10.1226 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.4963 9.9115 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9668 10.1740 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5894 8.9206 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7139 9.8266 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3362 11.0593 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5196 10.5426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5840 8.0210 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.6172 8.2974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6446 8.0426 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1417 8.9134 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1085 8.6372 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.6589 8.8968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7358 7.8614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9121 8.2389 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1304 9.3422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0813 8.8919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1833 9.2489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5997 7.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9356 7.4086 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1617 7.6492 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0654 8.3447 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.2735 7.7251 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9080 6.7884 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9080 6.8934 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6997 7.5132 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.2255 7.3021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6960 7.5647 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3186 6.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5544 7.1364 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0655 8.4499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2488 7.9333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7876 7.3298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1797 7.4602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5303 6.9756 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7662 12.4932 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.0748 13.2232 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.1079 13.4990 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.1183 14.5045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.8098 13.7746 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.5550 14.2269 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9549 12.7876 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.5773 14.0409 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.4943 14.5111 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7768 13.4987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1856 14.2630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7297 12.6743 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8963 12.2962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3528 12.8972 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 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 61 65 1 0 0 0 0 76 77 1 1 0 0 0 78 77 1 1 0 0 0 79 78 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 85 1 0 0 0 0 76 85 1 0 0 0 0 77 82 1 0 0 0 0 78 83 1 0 0 0 0 79 84 1 0 0 0 0 81 86 1 0 0 0 0 82 87 1 0 0 0 0 87 88 1 0 0 0 0 87 89 2 0 0 0 0 72 76 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 96101 1 0 0 0 0 101102 1 0 0 0 0 101103 2 0 0 0 0 83 90 1 0 0 0 0 104105 1 1 0 0 0 106105 1 1 0 0 0 107106 1 1 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 108113 1 0 0 0 0 104113 1 0 0 0 0 105110 1 0 0 0 0 106111 1 0 0 0 0 107112 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 115116 1 0 0 0 0 115117 2 0 0 0 0 64104 1 0 0 0 0 M END > LMISSP0506AL02 > > GalNAcalpha1-3GalNAcbeta1-3Galalpha1-3(GlcNAcbeta1-6)Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C78H140N4O33 > 1660.94 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-3Galbeta1-4Glc- (Isoglobo series) [SP0506] > - > > - > - > - > - > - > - > - > - > - > 44261901 > - > - > Active (generated by computational methods) > - $$$$