LMSP0502AZ06 LIPID_MAPS_STRUCTURE_DATABASE 152160 0 0 0 0 0 0 0 0999 V2000 0.2719 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5983 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4688 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7750 -0.3452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2311 -0.3452 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1426 1.0277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1428 -1.8660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1245 1.8468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0833 1.8660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8629 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5829 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3029 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0229 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7429 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4629 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1829 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9029 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6229 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3429 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0629 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7829 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5029 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2229 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9429 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6629 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3829 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1029 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8229 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5429 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2629 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9829 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7029 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4229 -0.8595 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.1429 -0.3452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1889 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9089 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6289 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3489 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0689 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7889 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5089 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2289 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9489 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6689 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3889 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1089 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.8289 1.0262 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5489 0.5251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1426 6.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1426 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3575 5.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3574 5.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8574 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3574 6.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7645 7.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1425 4.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0646 4.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8574 6.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3574 6.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3574 8.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3575 5.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3574 5.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8574 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3574 6.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7645 7.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8575 4.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0646 4.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8574 6.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3574 6.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3574 8.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8574 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3575 5.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3574 5.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8574 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3574 6.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7645 7.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8575 4.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0646 4.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8574 6.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.3574 6.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3574 8.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.0646 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5647 3.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5646 3.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0646 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5646 5.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9717 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0647 2.7259 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.2718 2.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0646 4.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5646 5.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5646 6.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.2718 2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7719 2.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7718 2.0188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2718 2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7718 3.7508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.1789 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.2719 1.1528 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.4790 1.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.2718 2.8848 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.7718 3.7508 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.7718 5.1650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.4790 1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.9791 0.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.9790 0.4457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.4790 1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.9790 2.1777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.3861 2.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.4791 -0.4203 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.6862 -0.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.4790 1.3117 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.9790 2.1777 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.9790 3.5919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.6862 -0.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.1863 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.1862 -1.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.6862 -0.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.1862 0.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.5933 1.3117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.6863 -1.9934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -22.8934 -1.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -23.6862 -0.2614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.1862 0.6046 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -22.1862 2.0188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -23.8934 -1.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -24.3935 -2.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.3934 -2.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.8934 -1.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.3934 -0.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -25.8005 -0.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -23.8935 -3.5665 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -26.1006 -3.4076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -26.8934 -1.8345 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -24.3934 -0.9685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -25.3934 0.4457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -27.1006 -3.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -27.6007 -4.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -28.6006 -4.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -29.1006 -3.4076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -28.6006 -2.5416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -29.0077 -1.8345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -27.1006 -5.1396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -29.3078 -4.9807 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -30.1006 -3.4076 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -27.6006 -2.5416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -28.6006 -1.1274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -27.7578 -5.7467 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -27.0168 -6.3217 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -28.6078 -5.7217 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 5 1 0 0 0 0 2 9 1 1 0 0 0 2 10 1 6 0 0 0 7 11 1 0 0 0 0 11 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 33 34 1 0 0 0 0 34 35 1 0 0 0 0 3 36 2 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 47 48 1 0 0 0 0 48 49 1 0 0 0 0 6 50 1 0 51 52 1 0 53 52 1 0 54 53 1 0 54 55 1 0 55 56 1 1 55 60 1 0 51 60 1 0 52 57 1 6 53 58 1 1 54 59 1 6 56 61 1 0 51 50 1 1 62 63 1 0 64 63 1 0 65 64 1 0 65 66 1 0 66 67 1 1 66 71 1 0 62 71 1 0 63 68 1 6 64 69 1 1 65 70 1 1 67 72 1 0 62 59 1 1 73 74 1 0 75 74 1 0 76 75 1 0 76 77 1 0 77 78 1 1 77 82 1 0 73 82 1 0 74 79 1 6 75 80 1 1 76 81 1 1 78 83 1 0 73 70 1 6 84 85 1 0 86 85 1 0 87 86 1 0 87 88 1 0 88 89 1 1 88 93 1 0 84 93 1 0 85 90 1 6 86 91 1 1 87 92 1 1 89 94 1 0 84 80 1 6 95 96 1 0 97 96 1 0 98 97 1 0 98 99 1 0 99100 1 1 99104 1 0 95104 1 0 96101 1 6 97102 1 1 98103 1 1 100105 1 0 95 91 1 6 106107 1 0 108107 1 0 109108 1 0 109110 1 0 110111 1 1 110115 1 0 106115 1 0 107112 1 6 108113 1 1 109114 1 1 111116 1 0 106102 1 6 117118 1 0 119118 1 0 120119 1 0 120121 1 0 121122 1 1 121126 1 0 117126 1 0 118123 1 6 119124 1 1 120125 1 1 122127 1 0 117113 1 6 128129 1 0 130129 1 0 131130 1 0 131132 1 0 132133 1 1 132137 1 0 128137 1 0 129134 1 6 130135 1 1 131136 1 1 133138 1 0 128124 1 6 139140 1 0 141140 1 0 142141 1 0 142143 1 0 143144 1 1 143148 1 0 139148 1 0 140145 1 6 141146 1 1 142147 1 1 144149 1 0 145150 1 0 150151 1 0 150152 2 0 139135 1 1 M END > LMSP0502AZ06 > > GalNAcbeta1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C100H180N2O48 > 2177.17 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > OZHDRYCPEDLCSV-XUCCGKFDSA-N > InChI=1S/C100H180N2O48/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-26-27-29-31-33-35-37-39-41-64(114)102-53(54(113)40-38-36-34-32-30-28-17-15-13-11-9-7-5-2)51-133-93-76(125)74(123)84(62(49-110)141-93)143-94-77(126)75(124)85(63(50-111)142-94)144-95-79(128)87(68(117)57(44-105)135-95)146-97-81(130)89(70(119)59(46-107)137-97)148-99-83(132)91(72(121)61(48-109)139-99)150-100-82(131)90(71(120)60(47-108)140-100)149-98-80(129)88(69(118)58(45-106)138-98)147-96-78(127)86(67(116)56(43-104)136-96)145-92-65(101-52(3)112)73(122)66(115)55(42-103)134-92/h38,40,53-63,65-100,103-111,113,115-132H,4-37,39,41-51H2,1-3H3,(H,101,112)(H,102,114)/b40-38+/t53-,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,65+,66-,67-,68-,69-,70-,71-,72-,73+,74+,75+,76+,77+,78+,79+,80+,81+,82+,83+,84+,85-,86-,87-,88-,89-,90-,91-,92-,93+,94-,95+,96+,97+,98+,99+,100+/m0/s1 > [C@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3O[C@H](CO)[C@H](O)[C@H](O[C@H]4O[C@H](CO)[C@H](O)[C@H](O[C@H]5O[C@H](CO)[C@H](O)[C@H](O[C@H]6O[C@H](CO)[C@H](O)[C@H](O[C@H]7O[C@H](CO)[C@H](O)[C@H](O[C@H]8O[C@H](CO)[C@H](O)[C@H](O[C@@H]9O[C@H](CO)[C@H](O)[C@H](O)[C@H]9NC(=O)C)[C@H]8O)[C@H]7O)[C@H]6O)[C@H]5O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(8)-HexNAc-Cer 44:1;O2 > - > - > 44260369 > - > - > - > - > - > - > - $$$$