LMSP0502AG01 LIPID_MAPS_STRUCTURE_DATABASE 123129 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 -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 -11.0646 2.7259 0.0000 N 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 -11.7218 2.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9808 1.5438 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5718 2.1438 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 -13.5646 7.3881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4359 6.8973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2965 7.4063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.2861 8.4062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4149 8.8971 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4053 9.7129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4463 5.8973 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.2652 7.1576 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.1468 8.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5541 8.3880 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.6950 10.1143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.3210 5.7093 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.9759 4.8372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.0399 6.1635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.1468 8.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6469 8.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.6468 8.0492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.1468 8.9152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.6468 9.7812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.0539 10.4883 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.1469 7.1832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -19.3540 7.3421 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -20.1468 8.9152 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.6468 9.7812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -18.6468 11.1954 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 3 26 2 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 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 6 40 1 0 41 42 1 0 43 42 1 0 44 43 1 0 44 45 1 0 45 46 1 1 45 50 1 0 41 50 1 0 42 47 1 6 43 48 1 1 44 49 1 6 46 51 1 0 41 40 1 1 52 53 1 0 54 53 1 0 55 54 1 0 55 56 1 0 56 57 1 1 56 61 1 0 52 61 1 0 53 58 1 6 54 59 1 1 55 60 1 1 57 62 1 0 52 49 1 1 63 64 1 0 65 64 1 0 66 65 1 0 66 67 1 0 67 68 1 1 67 72 1 0 63 72 1 0 64 69 1 6 65 70 1 1 66 71 1 1 68 73 1 0 63 60 1 6 74 75 1 0 76 75 1 0 77 76 1 0 77 78 1 0 78 79 1 1 78 83 1 0 74 83 1 0 75 80 1 6 76 81 1 1 77 82 1 1 79 84 1 0 80 85 1 0 85 86 1 0 85 87 2 0 74 70 1 1 88 89 1 0 90 89 1 0 91 90 1 0 91 92 1 0 92 93 1 1 92 97 1 0 88 97 1 0 89 94 1 6 90 95 1 1 91 96 1 1 93 98 1 0 88 81 1 1 99100 1 0 101100 1 0 102101 1 0 102103 1 0 103104 1 1 103108 1 0 99108 1 0 100105 1 6 101106 1 1 102107 1 6 104109 1 0 105110 1 0 110111 1 0 110112 2 0 99 84 1 1 113114 1 0 115114 1 0 116115 1 0 116117 1 0 117118 1 1 117122 1 0 113122 1 0 114119 1 6 115120 1 1 116121 1 1 118123 1 0 113107 1 1 M END > LMSP0502AG01 > > Galbeta1-3(Galbeta1-4GlcNAcbeta1-6)GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C80H143N3O38 > 1753.93 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > VPYMJJKUYUVKRT-PWNHDCMOSA-N > InChI=1S/C80H143N3O38/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-44(92)43(83-52(93)32-30-28-26-24-22-20-18-16-14-12-10-8-6-2)39-108-76-66(105)62(101)70(49(37-88)114-76)118-79-67(106)63(102)71(50(38-89)115-79)119-80-68(107)73(57(96)47(35-86)112-80)121-75-54(82-42(4)91)72(120-78-65(104)61(100)56(95)46(34-85)111-78)58(97)51(116-75)40-109-74-53(81-41(3)90)59(98)69(48(36-87)113-74)117-77-64(103)60(99)55(94)45(33-84)110-77/h29,31,43-51,53-80,84-89,92,94-107H,5-28,30,32-40H2,1-4H3,(H,81,90)(H,82,91)(H,83,93)/b31-29+/t43-,44+,45+,46+,47+,48+,49+,50+,51+,53+,54+,55-,56-,57-,58-,59+,60-,61-,62+,63+,64+,65+,66+,67+,68+,69+,70+,71-,72+,73-,74+,75-,76+,77-,78-,79-,80+/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]5O[C@H](CO)[C@@H](O[C@@H]6O[C@H](CO)[C@H](O)[C@H](O)[C@H]6O)[C@H](O)[C@H]5NC(=O)C)[C@H](O)[C@H](O[C@@H]5O[C@H](CO)[C@H](O)[C@H](O)[C@H]5O)[C@H]4NC(=O)C)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(5)-HexNAc(2)-Cer 34:1;O2 > - > - > 44260212 > - > - > - > - > - > - > - $$$$