LMSP0502AV03 LIPID_MAPS_STRUCTURE_DATABASE 140147 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 -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 -14.2718 1.1528 0.0000 N 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 -14.9290 0.5457 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1880 -0.0293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7790 0.5707 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.8574 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.3575 5.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3574 5.1650 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.8574 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3574 6.8970 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7645 7.6041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.8574 4.2990 0.0000 N 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 -14.8574 6.0310 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.3574 6.8970 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.3574 8.3112 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.5146 3.6919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7736 3.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3646 3.7169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0646 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.5647 3.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5646 3.5919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.0646 4.4579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5646 5.3239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9717 6.0310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0647 2.7259 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 -18.0646 4.4579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.5646 5.3239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.5646 6.7381 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0647 1.7259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1987 1.2258 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1987 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0647 -0.2741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.9307 0.2259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6378 -0.1812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.3327 1.7258 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4916 -0.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.0647 -1.2741 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.9307 1.2259 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 3 30 2 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 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 6 44 1 0 45 46 1 0 47 46 1 0 48 47 1 0 48 49 1 0 49 50 1 1 49 54 1 0 45 54 1 0 46 51 1 6 47 52 1 1 48 53 1 6 50 55 1 0 45 44 1 1 56 57 1 0 58 57 1 0 59 58 1 0 59 60 1 0 60 61 1 1 60 65 1 0 56 65 1 0 57 62 1 6 58 63 1 1 59 64 1 1 61 66 1 0 56 53 1 1 67 68 1 0 69 68 1 0 70 69 1 0 70 71 1 0 71 72 1 1 71 76 1 0 67 76 1 0 68 73 1 6 69 74 1 1 70 75 1 1 72 77 1 0 67 64 1 6 78 79 1 0 80 79 1 0 81 80 1 0 81 82 1 0 82 83 1 1 82 87 1 0 78 87 1 0 79 84 1 6 80 85 1 1 81 86 1 1 83 88 1 0 84 89 1 0 89 90 1 0 89 91 2 0 78 74 1 1 92 93 1 0 94 93 1 0 95 94 1 0 95 96 1 0 96 97 1 1 96101 1 0 92101 1 0 93 98 1 6 94 99 1 1 95100 1 1 97102 1 0 98103 1 0 103104 1 0 103105 2 0 92 85 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 112117 1 0 117118 1 0 117119 2 0 106 75 1 1 120121 1 0 122121 1 0 123122 1 0 123124 1 0 124125 1 1 124129 1 0 120129 1 0 121126 1 6 122127 1 1 123128 1 1 125130 1 0 120113 1 1 131132 1 0 133132 1 0 134133 1 0 134135 1 0 135136 1 1 135140 1 0 131140 1 0 132137 1 1 133138 1 6 134139 1 6 131126 1 6 M END > LMSP0502AV03 > > GalNAcalpha1-3GalNAcbeta1-3(Fucalpha1-2Galbeta1-3GalNAcbeta1-4)Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/20:0) > C92H164N4O42 > 1997.08 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > WKQPOZJZNUGCDY-JIOYILIXSA-N > InChI=1S/C92H164N4O42/c1-7-9-11-13-15-17-19-21-22-23-24-26-28-30-32-34-36-38-60(108)96-51(52(107)37-35-33-31-29-27-25-20-18-16-14-12-10-8-2)46-123-88-75(120)72(117)78(57(43-101)129-88)132-90-76(121)73(118)79(58(44-102)130-90)133-91-77(122)83(137-87-62(94-49(5)105)81(67(112)55(41-99)127-87)135-85-61(93-48(4)104)69(114)65(110)53(39-97)125-85)80(59(45-103)131-91)134-86-63(95-50(6)106)82(68(113)56(42-100)126-86)136-92-84(71(116)66(111)54(40-98)128-92)138-89-74(119)70(115)64(109)47(3)124-89/h35,37,47,51-59,61-92,97-103,107,109-122H,7-34,36,38-46H2,1-6H3,(H,93,104)(H,94,105)(H,95,106)(H,96,108)/b37-35+/t47-,51+,52-,53-,54-,55-,56-,57-,58-,59-,61-,62-,63-,64-,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+/m1/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]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]5O[C@H](C)[C@@H](O)[C@@H](O)[C@@H]5O)[C@H]4NC(=O)C)[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]5NC(=O)C)[C@H]4NC(=O)C)[C@H]3O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(4)-HexNAc(3)-Fuc-Cer 38:1;O2 > - > - > 44260334 > - > - > - > - > - > - > - $$$$