LMSP0502BH06 LIPID_MAPS_STRUCTURE_DATABASE 121126 0 0 0 999 V2000 23.3306 -5.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.4399 -5.0947 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5488 -5.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.8453 -6.4982 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 22.8156 -6.4982 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.2216 -5.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8827 -7.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8827 -8.0548 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9920 -6.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9248 -4.2549 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9433 -4.2352 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 20.0947 -7.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1968 -6.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.2991 -7.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4012 -6.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5035 -7.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6056 -6.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7078 -7.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8100 -6.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9123 -7.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0144 -6.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1166 -7.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2187 -6.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3211 -7.0247 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4232 -6.5101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6507 -5.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7529 -5.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8551 -5.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9572 -5.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0595 -5.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1618 -5.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.2639 -5.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3660 -5.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4683 -5.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5705 -5.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6726 -5.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7749 -5.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8773 -5.0948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9794 -5.6076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2276 -1.9012 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.3547 -3.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4016 -1.8586 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.7906 -1.0272 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.4172 -0.3720 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2717 -1.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7928 -2.6865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8332 -2.6851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3569 -1.8576 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.8353 -1.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.3588 -0.2009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4327 -3.5100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5180 -3.4961 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.5767 -1.8338 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9712 -1.0192 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6029 -0.3474 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.4464 -1.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9619 -2.6787 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0023 -2.6707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5317 -1.8396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0161 -1.0139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5455 -0.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9117 -2.7794 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2603 -1.8104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2763 0.0999 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7576 -0.3920 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7521 -1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9197 -1.8243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0928 -1.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1008 -0.3823 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9331 0.0903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9411 1.0455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.2695 -3.5143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.7274 1.5902 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3630 -0.5559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0358 -1.4545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0938 -1.6207 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4790 -0.8880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8062 0.0110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7482 0.1770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0753 1.0761 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5368 -1.0542 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7665 -2.5197 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6507 -2.1874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1912 -3.3437 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2847 -3.1633 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4919 -1.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9482 -0.8225 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6474 0.0532 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3492 -1.6945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8392 -2.3832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4427 -1.5141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9975 -0.7340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6009 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1477 -3.3514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6193 -4.1837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7946 -2.4748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6330 -2.5273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0864 -1.0792 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2915 -0.4115 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9755 1.4723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5043 1.4191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5084 2.8604 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.6658 0.4730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0291 0.1986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8710 1.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6088 1.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4507 2.6926 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3486 -1.6881 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5067 -2.6313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4523 -1.3536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9282 -0.1372 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5678 -7.0076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7094 -6.5156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8541 -7.0130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9957 -6.5211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1403 -7.0185 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2819 -6.5265 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4266 -7.0239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5682 -6.5320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7129 -7.0295 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1456 -6.5374 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 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 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 3 26 2 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 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 6 40 1 0 0 0 0 44 50 1 0 0 0 49 43 1 0 0 0 43 45 1 0 0 0 45 46 1 0 0 0 46 47 1 0 0 0 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 1 0 0 47 41 1 1 0 0 48 42 1 6 0 0 55 61 1 0 0 0 60 54 1 0 0 0 54 56 1 0 0 0 56 57 1 0 0 0 57 58 1 0 0 0 58 59 1 0 0 0 59 60 1 0 0 0 60 61 1 1 0 0 56 42 1 1 0 0 57 51 1 6 0 0 58 52 1 1 0 0 59 53 1 1 0 0 70 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 67 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 70 71 1 1 0 0 66 53 1 6 0 0 67 62 1 6 0 0 68 63 1 1 0 0 69 64 1 1 0 0 46 72 1 6 0 0 71 73 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 78 79 1 0 0 0 79 74 1 0 0 0 79 80 1 1 0 0 77 81 1 6 0 0 76 82 1 6 0 0 75 83 1 6 0 0 88 93 1 0 0 0 92 87 1 0 0 0 87 89 1 0 0 0 90 91 1 0 0 0 91 92 1 0 0 0 92 93 1 1 0 0 90 85 1 1 0 0 91 86 1 1 0 0 84 94 1 0 0 0 94 95 2 0 0 0 96 84 1 6 0 0 89 96 1 0 0 0 96 90 1 0 0 0 94 97 1 0 0 0 89 63 1 1 0 0 102107 1 0 0 0 106101 1 0 0 0 101103 1 0 0 0 104105 1 0 0 0 105106 1 0 0 0 106107 1 1 0 0 104 99 1 1 0 0 105100 1 6 0 0 98108 1 0 0 0 108109 1 0 0 0 108110 2 0 0 0 111 98 1 6 0 0 103111 1 0 0 0 111104 1 0 0 0 103 88 1 1 0 0 74 99 1 1 0 0 45 40 1 1 0 0 25112 1 0 0 0 112113 1 0 0 0 113114 1 0 0 0 114115 1 0 0 0 115116 1 0 0 0 116117 1 0 0 0 117118 1 0 0 0 118119 1 0 0 0 119120 1 0 0 0 120121 1 0 0 0 M END > LMSP0502BH06 > > Fucalpha2-3GlcNAcbeta1-6GalNAcbeta1-3Galalpha1-4Galbeta1-4Glcbeta-Cer(d18:1/26:0) > C84H153N3O32 > 1716.04 > Sphingolipids [SP] > Neutral glycosphingolipids [SP05] > Galalpha1-4Galbeta1-4Glc- (Globo series) [SP0502] > - > > PAVDPRRBIDNQNS-MIGWZCECSA-N > InChI=1S/C84H153N3O32/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-31-33-35-37-39-41-43-60(95)87-53(54(94)42-40-38-36-34-32-30-19-17-15-13-11-9-7-2)48-108-82-71(104)69(102)74(57(46-90)113-82)117-83-72(105)70(103)75(58(47-91)114-83)118-84-73(106)77(66(99)56(45-89)112-84)119-81-61(85-51(4)92)67(100)64(97)59(115-81)49-109-80-62(86-52(5)93)76(65(98)55(44-88)111-80)116-78-68(101)63(96)50(3)110-79(78)107/h40,42,50,53-59,61-84,88-91,94,96-107H,6-39,41,43-49H2,1-5H3,(H,85,92)(H,86,93)(H,87,95)/b42-40+/t50-,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+/m0/s1 > [C@](CO[C@H]1[C@H](O)[C@@H](O)[C@H](O[C@H]2[C@H](O)[C@@H](O)[C@@H](O[C@@H]3[C@H](O)[C@@H](O[C@H]4[C@@H]([C@@H](O)[C@@H](O)[C@@H](CO[C@H]5[C@@H]([C@@H](O[C@@H]6[C@H](O)O[C@@H](C)[C@@H](O)[C@H]6O)[C@H](O)[C@@H](CO)O5)NC(=O)C)O4)NC(C)=O)[C@@H](O)[C@@H](CO)O3)[C@@H](CO)O2)[C@@H](CO)O1)([H])(NC(CCCCCCCCCCCCCCCCCCCCCCCCC)=O)[C@]([H])(O)/C=C/CCCCCCCCCCCCC > - > - > - > Hex(3)-HexNAc(2)-Fuc-Cer 44:1;O2 > - > - > 178331384 > - > - > - > - > - > - > - $$$$