LMSP0502AM04 LIPID_MAPS_STRUCTURE_DATABASE 101105 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 -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 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 3 32 2 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 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 6 46 1 0 47 48 1 0 49 48 1 0 50 49 1 0 50 51 1 0 51 52 1 1 51 56 1 0 47 56 1 0 48 53 1 6 49 54 1 1 50 55 1 6 52 57 1 0 47 46 1 1 58 59 1 0 60 59 1 0 61 60 1 0 61 62 1 0 62 63 1 1 62 67 1 0 58 67 1 0 59 64 1 6 60 65 1 1 61 66 1 1 63 68 1 0 58 55 1 1 69 70 1 0 71 70 1 0 72 71 1 0 72 73 1 0 73 74 1 1 73 78 1 0 69 78 1 0 70 75 1 6 71 76 1 1 72 77 1 1 74 79 1 0 69 66 1 6 80 81 1 0 82 81 1 0 83 82 1 0 83 84 1 0 84 85 1 1 84 89 1 0 80 89 1 0 81 86 1 6 82 87 1 1 83 88 1 1 85 90 1 0 80 76 1 6 91 92 1 0 93 92 1 0 94 93 1 0 94 95 1 0 95 96 1 1 95100 1 0 91100 1 0 92 97 1 6 93 98 1 1 94 99 1 1 96101 1 0 91 87 1 6 M END > LMSP0502AM04 > > Galalpha1-3Galalpha1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/22:0) > C70H129NO28 > 1431.87 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > RPWPBHOSWKEKGW-KSKIPDENSA-N > InChI=1S/C70H129NO28/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-50(78)71-43(44(77)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2)42-90-66-58(86)55(83)62(48(40-75)94-66)96-68-59(87)56(84)63(49(41-76)95-68)97-69-60(88)65(53(81)46(38-73)92-69)99-70-61(89)64(52(80)47(39-74)93-70)98-67-57(85)54(82)51(79)45(37-72)91-67/h33,35,43-49,51-70,72-77,79-89H,3-32,34,36-42H2,1-2H3,(H,71,78)/b35-33+/t43-,44+,45+,46+,47+,48+,49+,51-,52-,53-,54-,55+,56+,57+,58+,59+,60+,61+,62+,63-,64-,65-,66+,67+,68-,69+,70+/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]5O)[C@H]4O)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(5)-Cer 40:1;O2 > - > - > 44260263 > - > - > - > - > - > - > - $$$$