LMSP0601AE01 LIPID_MAPS_STRUCTURE_DATABASE 140146 0 0 0 999 V2000 40.6063 11.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.6701 12.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.7337 11.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.1476 10.8816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 40.0650 10.8816 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 41.5428 12.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0844 10.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0844 9.2454 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.1482 10.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.1798 13.2394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.1482 13.2602 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.2050 10.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.2615 10.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.3179 10.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3742 10.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4307 10.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.7897 12.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.8461 11.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.9024 12.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.9587 11.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.0151 12.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.0716 11.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1279 12.3566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1842 11.8178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.4307 9.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1842 10.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.1501 10.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.1162 10.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0823 10.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.0482 10.8911 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.0143 10.2942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4058 8.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3808 9.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.3559 8.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.3310 9.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3060 8.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2811 9.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2563 8.6098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2314 9.2015 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.8423 16.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1351 15.3196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1693 15.5784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.9105 16.5443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6176 17.2514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4074 18.0398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.3940 14.3537 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.3032 15.0784 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9446 16.8031 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.5835 16.9926 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.9836 18.6174 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3373 15.3372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0721 14.3476 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0823 14.0823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.3579 14.8069 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6230 15.7966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8990 16.5205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9100 16.2556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.1860 16.9795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7004 15.8958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.5537 15.9500 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.3245 16.4992 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8171 13.0925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3681 14.5416 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.1640 17.5095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.8330 15.4102 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.6127 16.0618 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.8880 16.7855 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 19.1351 13.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.3705 13.4889 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8327 13.1230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8211 15.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5560 14.7119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5662 14.4466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8417 15.1712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1069 16.1609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3829 16.8848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3938 16.6199 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6698 17.3439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.1843 16.2601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0376 16.3143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.8083 16.8635 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3010 13.4568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.8519 14.9059 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6479 17.8739 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1288 15.6309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6809 17.0789 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0966 16.4261 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3719 17.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6190 14.0366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8544 13.8533 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3166 13.4873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.4448 17.9455 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.5079 15.7614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.5079 15.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.0078 14.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0079 14.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.5079 15.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.0079 16.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.6008 17.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.5078 14.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.5079 15.7614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.0079 16.6274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.0079 18.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.5079 15.7614 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.5079 15.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.0078 14.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0079 14.8954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.5079 15.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.0079 16.6274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.6008 17.3345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.5078 14.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.3007 14.1883 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.0079 16.6274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.0079 18.0416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.5079 14.0294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.7860 16.4409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.8201 16.1822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1130 16.8892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3718 17.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3377 18.1139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.5499 18.9018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.5613 15.2163 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.6647 18.5622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.0448 17.4068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.3377 19.1139 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.1471 16.6304 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.2007 16.9334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.4935 16.2263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.5276 16.4851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2688 17.4510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.9759 18.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.7657 18.9465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.7523 15.2604 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.3029 17.7098 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.9418 17.8993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.3419 19.5241 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.8205 15.7780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.7182 15.0016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.9771 14.0357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.4253 15.7087 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 3 17 2 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 16 25 1 0 0 0 0 24 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 25 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 40 41 1 0 0 0 42 41 1 0 0 0 43 42 1 0 0 0 43 44 1 0 0 0 44 45 1 1 0 0 44 49 1 0 0 0 40 49 1 0 0 0 41 46 1 6 0 0 42 47 1 1 0 0 43 48 1 1 0 0 45 50 1 0 0 0 59 60 2 0 0 0 59 61 1 0 0 0 51 59 1 1 0 0 52 51 1 0 0 0 52 53 1 0 0 0 51 66 1 0 0 0 53 54 1 0 0 0 54 55 1 0 0 0 55 56 1 0 0 0 55 66 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 53 62 1 6 0 0 54 63 1 1 0 0 56 64 1 1 0 0 57 65 1 6 0 0 55 67 1 1 0 0 63 68 1 0 0 0 68 69 1 0 0 0 68 70 2 0 0 0 51 47 1 6 0 0 79 80 2 0 0 0 79 81 1 0 0 0 71 79 1 1 0 0 72 71 1 0 0 0 72 73 1 0 0 0 71 87 1 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 75 87 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 73 82 1 6 0 0 74 83 1 1 0 0 76 84 1 1 0 0 77 85 1 6 0 0 78 86 1 0 0 0 75 88 1 1 0 0 83 89 1 0 0 0 89 90 1 0 0 0 89 91 2 0 0 0 58 92 1 0 0 0 71 65 1 6 0 0 94 95 1 0 0 0 96 95 1 0 0 0 97 96 1 0 0 0 97 98 1 0 0 0 98 99 1 1 0 0 98102 1 0 0 0 94102 1 0 0 0 95100 1 6 0 0 97101 1 1 0 0 99103 1 0 0 0 94 93 1 1 0 0 105106 1 0 0 0 107106 1 0 0 0 108107 1 0 0 0 108109 1 0 0 0 109110 1 1 0 0 109113 1 0 0 0 105113 1 0 0 0 106111 1 6 0 0 107112 1 1 0 0 108 93 1 6 0 0 110114 1 0 0 0 105104 1 1 0 0 96115 1 1 0 0 116117 1 0 0 0 118117 1 0 0 0 119118 1 0 0 0 119120 1 0 0 0 120121 1 1 0 0 120124 1 0 0 0 116124 1 0 0 0 117122 1 6 0 0 119123 1 1 0 0 121125 1 0 0 0 118126 1 1 0 0 116101 1 6 0 0 127128 1 0 0 0 129128 1 0 0 0 130129 1 0 0 0 130131 1 0 0 0 131132 1 1 0 0 131135 1 0 0 0 127135 1 0 0 0 128133 1 6 0 0 130134 1 1 0 0 132136 1 0 0 0 129137 1 1 0 0 127126 1 1 0 0 133138 1 0 0 0 138139 1 0 0 0 138140 2 0 0 0 40137 1 1 0 0 6104 1 0 0 0 0 M END > LMSP0601AE01 > > NeuAcalpha2-8NeuAcalpha2-3Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/16:0) > C88H154N4O44 > 1970.99 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > WISGREIPJFUXBY-CGZRHLHLSA-N > InChI=1S/C88H154N4O44/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-48(103)47(92-58(107)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2)43-123-81-69(115)67(113)73(56(41-98)127-81)129-82-70(116)68(114)74(57(42-99)128-82)130-83-71(117)78(64(110)53(38-95)125-83)132-80-61(91-46(5)102)75(63(109)52(37-94)124-80)131-84-72(118)79(65(111)54(39-96)126-84)136-88(86(121)122)35-50(105)60(90-45(4)101)77(135-88)66(112)55(40-97)133-87(85(119)120)34-49(104)59(89-44(3)100)76(134-87)62(108)51(106)36-93/h30,32,47-57,59-84,93-99,103-106,108-118H,6-29,31,33-43H2,1-5H3,(H,89,100)(H,90,101)(H,91,102)(H,92,107)(H,119,120)(H,121,122)/b32-30+/t47-,48+,49-,50-,51+,52+,53+,54+,55+,56+,57+,59+,60+,61+,62+,63-,64-,65-,66+,67+,68+,69+,70+,71+,72+,73+,74-,75+,76+,77+,78-,79-,80-,81+,82-,83+,84-,87+,88-/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@]6(O[C@@]([H])([C@H](O)[C@H](O[C@]7(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)C)[C@@H](O)C7)C(O)=O)CO)[C@H](NC(=O)C)[C@@H](O)C6)C(O)=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(4)-HexNAc-NeuAc(2)-Cer 34:1;O2 > - > - > 178332926 > - > - > - > - > - > - > - $$$$