Mrv0541 02041511142D 114118 0 0 0 0 999 V2000 6.6020 -4.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3165 -4.3420 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.0310 -4.7545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7455 -4.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4599 -4.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1744 -4.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8888 -4.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6032 -4.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3177 -4.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0322 -4.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7467 -4.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4610 -4.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1755 -4.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8900 -4.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6044 -4.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3189 -4.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0334 -4.7545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7479 -4.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8877 -4.3420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0310 -5.5795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3165 -3.5170 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1731 -4.7545 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4587 -4.3420 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7443 -4.7545 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7443 -5.5795 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4587 -5.9920 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.1731 -5.5795 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0298 -5.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3153 -6.4045 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 1.6009 -5.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8864 -6.4045 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8864 -7.2294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6009 -7.6419 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.3153 -7.2294 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1720 -7.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5424 -8.0544 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2569 -7.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9714 -8.0544 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9714 -8.8794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2569 -9.2919 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5424 -8.8794 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.2569 -10.1169 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9714 -10.5294 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6943 -10.1319 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4000 -10.5591 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3827 -11.3839 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6600 -11.7814 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9542 -11.3543 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1720 -9.2919 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -10.1169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8864 -10.5294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5424 -10.5294 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4587 -6.8170 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0298 -4.3420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1720 -5.9920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6009 -8.4669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6858 -9.2919 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6858 -7.6419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2398 -11.7668 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6600 -12.6064 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0973 -11.7964 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1145 -10.1466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8288 -10.5591 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4002 -8.0544 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5424 -6.4045 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3153 -4.7545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8877 -5.9920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0298 -7.6419 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2155 -9.9047 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 3.9299 -9.4922 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2155 -10.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9299 -11.1422 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6444 -10.7297 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6444 -9.9047 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5010 -10.3172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7865 -9.9047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -11.1422 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3589 -9.4922 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3589 -11.1422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0733 -10.7297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7877 -11.1422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0733 -9.9048 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9299 -11.9673 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2155 -12.3798 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.2155 -13.2047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -13.6172 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5010 -11.9673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6444 -12.3798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6444 -11.5547 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6037 -3.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3184 -3.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0328 -3.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1746 -3.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8893 -3.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7455 -3.5171 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4602 -3.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0311 -3.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0311 -2.2795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7473 -3.1047 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7474 -2.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1747 -1.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6038 -1.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8892 -2.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0329 -1.8671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3183 -2.2797 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1747 -1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8892 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6037 -1.0422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3181 -0.6297 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0326 -1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7471 -0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4616 -1.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1760 -0.6296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8905 -1.0420 0.0000 C 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 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 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 1 19 1 0 0 0 0 3 20 1 1 0 0 0 2 21 1 6 0 0 0 22 19 1 1 0 0 0 27 22 1 0 0 0 0 23 22 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 25 28 1 6 0 0 0 29 28 1 1 0 0 0 34 29 1 0 0 0 0 30 29 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 32 35 1 1 0 0 0 36 35 1 1 0 0 0 41 36 1 0 0 0 0 37 36 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 40 42 1 1 0 0 0 43 42 1 1 0 0 0 48 43 1 0 0 0 0 44 43 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 49 50 1 0 0 0 0 50 51 1 0 0 0 0 50 52 2 0 0 0 0 26 53 1 1 0 0 0 24 54 1 1 0 0 0 31 55 1 1 0 0 0 33 56 1 1 0 0 0 39 57 1 1 0 0 0 38 58 1 1 0 0 0 41 49 1 6 0 0 0 48 59 1 6 0 0 0 47 60 1 1 0 0 0 46 61 1 1 0 0 0 45 62 1 1 0 0 0 62 63 1 0 0 0 0 58 64 1 0 0 0 0 55 65 1 0 0 0 0 54 66 1 0 0 0 0 27 67 1 6 0 0 0 34 68 1 6 0 0 0 69 56 1 6 0 0 0 70 69 1 0 0 0 0 69 71 1 0 0 0 0 70 74 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 69 75 1 1 0 0 0 75 76 1 0 0 0 0 75 77 2 0 0 0 0 74 78 1 6 0 0 0 73 79 1 1 0 0 0 79 80 1 0 0 0 0 80 81 1 0 0 0 0 80 82 2 0 0 0 0 72 83 1 0 0 0 0 83 84 1 0 0 0 0 84 85 1 0 0 0 0 85 86 1 0 0 0 0 84 87 1 1 0 0 0 83 88 1 6 0 0 0 72 89 1 1 0 0 0 91 90 1 0 0 0 0 92 91 1 0 0 0 0 94 93 1 0 0 0 0 90 94 1 0 0 0 0 96 95 1 0 0 0 0 93 96 1 0 0 0 0 95 97 1 0 0 0 0 97 21 1 0 0 0 0 97 98 2 0 0 0 0 92 99 1 0 0 0 0 99100 1 0 0 0 0 103102 1 0 0 0 0 101103 1 0 0 0 0 105104 1 0 0 0 0 102105 1 0 0 0 0 104100 1 0 0 0 0 101106 2 0 0 0 0 106107 1 0 0 0 0 107108 1 0 0 0 0 108109 1 0 0 0 0 109110 1 0 0 0 0 110111 1 0 0 0 0 111112 1 0 0 0 0 112113 1 0 0 0 0 113114 1 0 0 0 0 M END > CHEBI:84673 > beta-D-Gal-(1->3)-beta-D-GalNAc-(1->4)-[alpha-Neu5Ac-(2->3)]-beta-D-Gal-(1->4)-beta-D-Glc-(1<->1')-Cer(d18:1/24:1(15Z)) > A sialotetraosylceramide having β-D-Gal-(1→3)-β-D-GalNAc-(1→4)-[α-Neu5Ac-(2→3)]-β-D-Gal-(1→4)-β-D-Glc as the sialotetraosyl component. > 3 > GM1-d18:1/24:1 > (2S,3R,4E)-3-hydroxy-2-[(15E)-tetracos-15-enoylamino]octadec-4-en-1-yl (6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-[beta-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-D-galactopyranosyl-(1->4)]-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranoside > C79H141N3O31 > 1628.96630 > 1627.95490 > 0 > CCCCCCCCCCCCC\C=C\[C@@H](O)[C@H](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]4O)[C@H]3NC(C)=O)[C@H](O[C@@]3(C[C@H](O)[C@@H](NC(C)=O)[C@@H](O3)[C@H](O)[C@H](O)CO)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)NC(=O)CCCCCCCCCCCCC\C=C/CCCCCCCC > InChI=1S/C79H141N3O31/c1-5-7-9-11-13-15-17-19-20-21-22-23-24-25-26-28-30-32-34-36-38-40-58(93)82-50(51(90)39-37-35-33-31-29-27-18-16-14-12-10-8-6-2)47-104-75-67(100)65(98)69(56(45-86)107-75)109-77-68(101)73(113-79(78(102)103)41-52(91)59(80-48(3)88)72(112-79)61(94)53(92)42-83)70(57(46-87)108-77)110-74-60(81-49(4)89)71(63(96)55(44-85)105-74)111-76-66(99)64(97)62(95)54(43-84)106-76/h19-20,37,39,50-57,59-77,83-87,90-92,94-101H,5-18,21-36,38,40-47H2,1-4H3,(H,80,88)(H,81,89)(H,82,93)(H,102,103)/b20-19-,39-37+/t50-,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-,79-/m0/s1 > LBZARWBJHQZHMC-JOXCSYROSA-N > LMSP0601AP07 $$$$