LMSP0601AE02 LIPID_MAPS_STRUCTURE_DATABASE 142148 0 0 0 999 V2000 40.5061 11.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.5724 12.3268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.6383 11.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 41.0461 10.8552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 39.9663 10.8552 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 41.4403 12.3283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9881 10.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.9881 9.2232 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.0543 10.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.0807 13.2073 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.0518 13.2280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 37.1136 10.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.1723 10.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.2311 10.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.2897 10.8428 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3486 10.3033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 37.6967 12.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.7553 11.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8142 12.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8728 11.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.9315 12.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.9905 11.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.0490 12.3266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1078 11.7891 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 33.3486 9.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.1078 10.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.0764 10.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.0451 10.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0137 10.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.9823 10.8649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.9510 10.2693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.3263 8.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.3039 9.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2817 8.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.2593 9.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.2369 8.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2146 9.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.1922 8.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.1700 9.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.1476 8.5894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1251 9.1796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7035 16.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9963 15.6391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.0305 15.8979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.7717 16.8638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.4788 17.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2686 18.3593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.2552 14.6732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1644 15.3979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8058 17.1226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.4447 17.3121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.8448 18.9369 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1985 15.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9333 14.6671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.9435 14.4018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2191 15.1264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.4842 16.1161 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7602 16.8400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7712 16.5751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0472 17.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.5616 16.2153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4149 16.2695 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.1857 16.8187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.6783 13.4120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2293 14.8611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 20.0252 17.8290 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.6942 15.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.4739 16.3813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.7492 17.1050 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 18.9963 13.9918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2317 13.8084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.6939 13.4425 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6823 16.0211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4172 15.0314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4274 14.7661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7029 15.4907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9681 16.4804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2441 17.2043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2550 16.9394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5310 17.6634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0455 16.5796 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.8988 16.6338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6695 17.1830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1622 13.7763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7131 15.2254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.5091 18.1934 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.9900 15.9504 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5421 17.3984 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9578 16.7456 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2331 17.4693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4802 14.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7156 14.1728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1778 13.8068 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.3060 18.2650 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 37.3691 16.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 36.3691 16.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 35.8690 15.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8691 15.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.3691 16.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.8691 16.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 34.4620 17.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 36.3690 14.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.3691 16.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 35.8691 16.9469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.8691 18.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 41.3691 16.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 40.3691 16.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 39.8690 15.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.8691 15.2149 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.3691 16.0809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.8691 16.9469 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 38.4620 17.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 40.3690 14.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.1619 14.5078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 39.8691 16.9469 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 38.8691 18.3611 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 34.3691 14.3489 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.6472 16.7604 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.6813 16.5017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.9742 17.2087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.2330 18.1746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.1989 18.4334 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 32.4111 19.2213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 31.4225 15.5358 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.5259 18.8817 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 32.9060 17.7263 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 33.1989 19.4334 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 30.0083 16.9499 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.0619 17.2529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.3547 16.5458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3888 16.8046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1300 17.7705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.8371 18.4776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.6269 19.2660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.6135 15.5799 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 26.1641 18.0293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.8030 18.2188 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 28.2031 19.8436 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.6817 16.0975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 29.5794 15.3211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 29.8383 14.3552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 30.2865 16.0282 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 39 40 1 0 0 0 0 40 41 1 0 0 0 0 42 43 1 0 0 0 44 43 1 0 0 0 45 44 1 0 0 0 45 46 1 0 0 0 46 47 1 1 0 0 46 51 1 0 0 0 42 51 1 0 0 0 43 48 1 6 0 0 44 49 1 1 0 0 45 50 1 1 0 0 47 52 1 0 0 0 61 62 2 0 0 0 61 63 1 0 0 0 53 61 1 1 0 0 54 53 1 0 0 0 54 55 1 0 0 0 53 68 1 0 0 0 55 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 57 68 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 55 64 1 6 0 0 56 65 1 1 0 0 58 66 1 1 0 0 59 67 1 6 0 0 57 69 1 1 0 0 65 70 1 0 0 0 70 71 1 0 0 0 70 72 2 0 0 0 53 49 1 6 0 0 81 82 2 0 0 0 81 83 1 0 0 0 73 81 1 1 0 0 74 73 1 0 0 0 74 75 1 0 0 0 73 89 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 77 89 1 0 0 0 78 79 1 0 0 0 79 80 1 0 0 0 75 84 1 6 0 0 76 85 1 1 0 0 78 86 1 1 0 0 79 87 1 6 0 0 80 88 1 0 0 0 77 90 1 1 0 0 85 91 1 0 0 0 91 92 1 0 0 0 91 93 2 0 0 0 60 94 1 0 0 0 73 67 1 6 0 0 96 97 1 0 0 0 98 97 1 0 0 0 99 98 1 0 0 0 99100 1 0 0 0 100101 1 1 0 0 100104 1 0 0 0 96104 1 0 0 0 97102 1 6 0 0 99103 1 1 0 0 101105 1 0 0 0 96 95 1 1 0 0 107108 1 0 0 0 109108 1 0 0 0 110109 1 0 0 0 110111 1 0 0 0 111112 1 1 0 0 111115 1 0 0 0 107115 1 0 0 0 108113 1 6 0 0 109114 1 1 0 0 110 95 1 6 0 0 112116 1 0 0 0 107106 1 1 0 0 98117 1 1 0 0 118119 1 0 0 0 120119 1 0 0 0 121120 1 0 0 0 121122 1 0 0 0 122123 1 1 0 0 122126 1 0 0 0 118126 1 0 0 0 119124 1 6 0 0 121125 1 1 0 0 123127 1 0 0 0 120128 1 1 0 0 118103 1 6 0 0 129130 1 0 0 0 131130 1 0 0 0 132131 1 0 0 0 132133 1 0 0 0 133134 1 1 0 0 133137 1 0 0 0 129137 1 0 0 0 130135 1 6 0 0 132136 1 1 0 0 134138 1 0 0 0 131139 1 1 0 0 129128 1 1 0 0 135140 1 0 0 0 140141 1 0 0 0 140142 2 0 0 0 42139 1 1 0 0 6106 1 0 0 0 0 M END > LMSP0601AE02 > > NeuAcalpha2-8NeuAcalpha2-3Galbeta1-3GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/18:0) > C90H158N4O44 > 1999.02 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > BOGDWPZEXNMIGT-YVIUSTHUSA-N > InChI=1S/C90H158N4O44/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-60(109)94-49(50(105)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2)45-125-83-71(117)69(115)75(58(43-100)129-83)131-84-72(118)70(116)76(59(44-101)130-84)132-85-73(119)80(66(112)55(40-97)127-85)134-82-63(93-48(5)104)77(65(111)54(39-96)126-82)133-86-74(120)81(67(113)56(41-98)128-86)138-90(88(123)124)37-52(107)62(92-47(4)103)79(137-90)68(114)57(42-99)135-89(87(121)122)36-51(106)61(91-46(3)102)78(136-89)64(110)53(108)38-95/h32,34,49-59,61-86,95-101,105-108,110-120H,6-31,33,35-45H2,1-5H3,(H,91,102)(H,92,103)(H,93,104)(H,94,109)(H,121,122)(H,123,124)/b34-32+/t49-,50+,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-,89+,90-/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(CCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(4)-HexNAc-NeuAc(2)-Cer 36:1;O2 > - > - > 44261997 > - > - > - > - > - > - > - $$$$