LMSP0601CI07 LIPID_MAPS_STRUCTURE_DATABASE 106109 0 0 0 999 V2000 -3.6512 6.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5465 7.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4421 6.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1336 5.9133 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1688 5.9133 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7553 7.3259 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1068 5.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1068 4.3487 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0591 8.1685 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0455 8.1883 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8476 5.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5883 5.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3291 5.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0699 5.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8107 5.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5515 5.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2923 5.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0330 5.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.7738 5.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.5146 5.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.2554 5.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9961 5.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.7369 5.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.4776 5.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.2184 5.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.9592 5.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.7000 5.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4408 5.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.1816 5.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.9223 5.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.6631 5.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.4039 5.9133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.1447 5.3842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1830 7.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9238 6.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6646 7.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4054 6.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1461 7.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8869 6.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6276 7.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3684 6.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1092 7.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8500 6.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5907 7.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.3315 6.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.0723 7.3242 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.8131 6.8087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7553 12.4735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7843 12.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2988 11.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3275 11.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8419 12.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3275 13.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7464 14.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7844 10.6915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0551 10.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8708 12.4735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2987 13.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3275 14.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.8997 12.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4142 11.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4429 11.5825 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9573 12.4735 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4429 13.3645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8618 14.0919 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8998 10.6915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.1706 10.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9863 12.4735 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4141 13.3645 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.4429 14.8195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.1994 10.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1994 9.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1124 9.2736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0253 9.8008 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0253 10.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.9376 11.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8499 10.8550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7623 11.3816 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9873 11.5067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.1536 11.7878 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.5215 12.0063 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1124 8.2193 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.9383 9.2736 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.9376 12.4351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.8499 9.8016 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -16.6746 10.8550 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.1124 11.3821 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.0253 11.9084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.9383 8.3477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.6493 7.9619 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0988 7.9875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -15.5403 8.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.9837 12.6624 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.8190 14.4873 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.6569 16.1177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8225 14.2040 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2335 16.7513 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.4039 13.3831 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.4028 13.4777 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8201 14.3930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2393 15.2081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2404 15.1135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6595 15.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7047 13.2124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.4379 12.8890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.5672 13.9104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 2 3 1 0 0 0 1 5 1 6 0 0 1 4 1 1 0 0 6 1 1 0 0 0 7 8 2 0 0 0 7 5 1 0 0 0 2 9 1 1 0 0 2 10 1 6 0 0 7 11 1 0 0 0 11 12 1 0 0 0 12 13 1 0 0 0 13 14 1 0 0 0 14 15 1 0 0 0 15 16 1 0 0 0 16 17 1 0 0 0 17 18 1 0 0 0 18 19 1 0 0 0 19 20 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 2 0 0 0 25 26 1 0 0 0 26 27 1 0 0 0 27 28 1 0 0 0 28 29 1 0 0 0 29 30 1 0 0 0 30 31 1 0 0 0 31 32 1 0 0 0 32 33 1 0 0 0 3 34 2 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 6 48 1 0 0 0 49 50 1 0 0 0 51 50 1 0 0 0 52 51 1 0 0 0 52 53 1 0 0 0 53 54 1 1 0 0 53 58 1 0 0 0 49 58 1 0 0 0 50 55 1 6 0 0 51 56 1 1 0 0 52 57 1 6 0 0 54 59 1 0 0 0 49 48 1 1 0 0 60 61 1 0 0 0 62 61 1 0 0 0 63 62 1 0 0 0 63 64 1 0 0 0 64 65 1 1 0 0 64 69 1 0 0 0 60 69 1 0 0 0 61 66 1 6 0 0 62 67 1 1 0 0 63 68 1 1 0 0 65 70 1 0 0 0 60 57 1 1 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 90 92 1 0 0 0 71 67 1 6 0 0 97103 1 0 0 0 102 96 1 0 0 0 96 98 1 0 0 0 98 99 1 0 0 0 99100 1 0 0 0 100101 1 0 0 0 101102 1 0 0 0 102103 1 1 0 0 98 68 1 1 0 0 99 93 1 6 0 0 100 94 1 1 0 0 101 95 1 1 0 0 93104 1 0 0 0 104105 1 0 0 0 104106 2 0 0 0 M END > LMSP0601CI07 > > GalNAcbeta1-4(NeuGcalpha2-3)Galbeta1-4Glcbeta-Cer(d18:1/24:1(15Z)) > C73H131N3O27 > 1481.90 > Sphingolipids [SP] > Acidic glycosphingolipids [SP06] > Gangliosides [SP0601] > - > > ZQSGGVFCAKHFPG-NSVBUADBSA-N > InChI=1S/C73H131N3O27/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-39-55(86)75-48(49(83)38-36-34-32-30-28-26-17-15-13-11-9-7-5-2)46-96-70-63(92)62(91)65(53(43-79)98-70)100-71-64(93)68(66(54(44-80)99-71)101-69-58(74-47(3)82)61(90)60(89)52(42-78)97-69)103-73(72(94)95)40-50(84)57(76-56(87)45-81)67(102-73)59(88)51(85)41-77/h18-19,36,38,48-54,57-71,77-81,83-85,88-93H,4-17,20-35,37,39-46H2,1-3H3,(H,74,82)(H,75,86)(H,76,87)(H,94,95)/b19-18-,38-36+/t48-,49+,50-,51+,52+,53+,54+,57+,58+,59+,60-,61+,62+,63+,64+,65+,66-,67+,68+,69-,70+,71-,73-/m0/s1 > [C@](CO[C@@H]1O[C@H](CO)[C@@H](O[C@@H]2O[C@H](CO)[C@H](O[C@H]3[C@H](NC(=O)C)[C@@H](O)[C@@H](O)[C@@H](CO)O3)[C@H](O[C@]3(O[C@@]([H])([C@H](O)[C@H](O)CO)[C@H](NC(=O)CO)[C@@H](O)C3)C(O)=O)[C@H]2O)[C@H](O)[C@H]1O)([H])(NC(CCCCCCCCCCCCC/C=C\CCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(2)-HexNAc-NeuGc-Cer 42:2;O2 > - > - > 52931295 > - > - > - > - > - > - > - $$$$