Accord 08271317182D 130136 0 0 0 0 0 0 0 0999 V2000 24.2880 7.1739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.5818 7.5805 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.8753 7.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6963 6.4677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 23.8797 6.4677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.9945 7.5817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1399 6.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1399 5.2334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.4336 6.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9663 8.2465 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1881 8.2621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 21.7222 6.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0103 6.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2985 6.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.5866 6.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8748 6.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1629 6.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4510 6.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7392 6.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0272 6.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3154 6.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6035 6.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8917 6.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1798 6.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4680 6.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7561 6.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0443 6.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3324 6.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6205 6.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9087 6.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1967 6.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4849 6.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7730 6.4582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1632 7.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4513 7.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.7394 7.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.0276 7.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3157 7.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6039 7.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8920 7.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1801 7.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4682 7.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7564 7.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0445 7.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3326 7.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6208 7.5804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9089 7.1739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0000 9.7623 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.3535 9.5136 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 23.4450 9.7734 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5309 9.5339 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 22.0584 10.3522 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.9669 10.0927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 22.5444 10.3366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5564 9.3636 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.8426 9.7184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.5505 10.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.8811 10.3321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.0372 10.6675 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9040 9.8104 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.9955 10.0702 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0814 9.8307 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 18.6088 10.6490 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 19.5174 10.3894 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 19.0949 10.6334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1068 9.6604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3930 10.0152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.5982 11.1813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4316 10.6288 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.5877 10.9643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.1009 11.8775 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 17.1924 12.1373 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2783 11.8978 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 15.8058 12.7161 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 16.7143 12.4565 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 16.2918 12.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3038 11.7275 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.5899 12.0823 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7951 13.2484 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6285 12.6959 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7846 13.0314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6451 11.2369 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.7366 11.4967 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8225 11.2572 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.3499 12.0755 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2585 11.8159 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.8360 12.0599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8480 11.0869 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1341 11.4417 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3393 12.4785 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1727 12.0553 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3288 12.3908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7201 10.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0357 10.6614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3085 10.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1893 10.5963 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2808 10.8561 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3667 10.6166 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8941 11.4349 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.8027 11.1753 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.3802 11.4193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3921 10.4463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6783 10.8011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8835 11.9672 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.7169 11.4147 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8730 11.7502 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8827 10.9005 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.1384 10.3182 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7949 9.4379 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8551 9.5366 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5992 10.1191 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1535 9.9207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5355 10.1675 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2410 8.9895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5229 9.7650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9429 10.9994 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1754 10.5139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6216 9.9468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9901 10.0693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3797 9.6139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8949 10.4463 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.9034 9.6258 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 9.1143 9.4007 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.3789 8.7038 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5414 9.6255 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1595 9.2355 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3364 10.0680 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9683 8.8321 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6548 8.2371 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3305 9.8507 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 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 31 32 1 0 0 0 0 32 33 1 0 0 0 0 3 34 2 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 45 46 1 0 0 0 0 46 47 1 0 0 0 0 6 48 1 0 0 0 0 49 50 1 1 0 0 0 51 50 1 1 0 0 0 52 51 1 1 0 0 0 52 53 1 0 0 0 0 53 54 1 0 0 0 0 53 58 1 0 0 0 0 49 58 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 54 59 1 0 0 0 0 48 49 1 0 0 0 0 60 61 1 1 0 0 0 62 61 1 1 0 0 0 63 62 1 1 0 0 0 63 64 1 0 0 0 0 64 65 1 0 0 0 0 64 69 1 0 0 0 0 60 69 1 0 0 0 0 61 66 1 0 0 0 0 62 67 1 0 0 0 0 63 68 1 0 0 0 0 65 70 1 0 0 0 0 57 60 1 0 0 0 0 71 72 1 1 0 0 0 73 72 1 1 0 0 0 74 73 1 1 0 0 0 74 75 1 0 0 0 0 75 76 1 0 0 0 0 75 80 1 0 0 0 0 71 80 1 0 0 0 0 72 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 76 81 1 0 0 0 0 68 71 1 0 0 0 0 82 83 1 1 0 0 0 84 83 1 1 0 0 0 85 84 1 1 0 0 0 85 86 1 0 0 0 0 86 87 1 0 0 0 0 86 91 1 0 0 0 0 82 91 1 0 0 0 0 83 88 1 0 0 0 0 84 89 1 0 0 0 0 85 90 1 0 0 0 0 87 92 1 0 0 0 0 88 93 1 0 0 0 0 93 94 1 0 0 0 0 93 95 2 0 0 0 0 78 82 1 0 0 0 0 96 97 1 1 0 0 0 98 97 1 1 0 0 0 99 98 1 1 0 0 0 99100 1 0 0 0 0 100101 1 0 0 0 0 100105 1 0 0 0 0 96105 1 0 0 0 0 97102 1 0 0 0 0 98103 1 0 0 0 0 99104 1 0 0 0 0 101106 1 0 0 0 0 89 96 1 0 0 0 0 107108 1 1 0 0 0 109108 1 1 0 0 0 110109 1 1 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 111116 1 0 0 0 0 107116 1 0 0 0 0 108113 1 0 0 0 0 109114 1 0 0 0 0 110115 1 0 0 0 0 112117 1 0 0 0 0 113118 1 0 0 0 0 118119 1 0 0 0 0 118120 2 0 0 0 0 103107 1 0 0 0 0 121122 1 1 0 0 0 122123 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 122127 1 0 0 0 0 123128 1 0 0 0 0 124129 1 0 0 0 0 121130 1 0 0 0 0 102121 1 0 0 0 0 M END > LMSP0502AJ05 > > GalNAcalpha1-3(Fucalpha1-2)Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/24:0) > C88H159N3O37 > 1850.07 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > - > - > - > - > - > - > - > - > - > 44260240 > - > - > Active (generated by computational methods) > - $$$$