Mrv1533006051511592D 104106 0 0 1 0 999 V2000 12.5875 -3.0205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5875 -3.8455 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.2888 -4.2580 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 14.0314 -3.8455 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 14.0314 -3.0205 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.2888 -2.6080 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8863 -4.2580 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2787 -5.0830 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4438 -4.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1537 -7.3518 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.4937 -6.9393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8963 -6.9393 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1537 -8.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4937 -6.1143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7924 -7.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8963 -6.1143 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5975 -7.3518 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.4937 -8.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1537 -5.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7512 -5.7018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9674 -7.3518 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 11.5975 -5.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5975 -8.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4937 -9.3732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7924 -8.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7512 -4.8768 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9674 -6.5268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1424 -7.3518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9674 -8.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2988 -5.2893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2988 -8.5482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8963 -8.5482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7924 -9.7856 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 13.0414 -5.7018 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 12.2988 -9.3732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7924 -10.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0912 -9.3732 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0414 -6.5268 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7425 -5.2893 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5975 -9.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0414 -9.7856 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0912 -11.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7425 -6.9393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 12.2988 -6.7331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4438 -5.7018 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5975 -10.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0912 -11.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4438 -6.5268 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 13.7425 -7.7643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6401 -4.4230 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8963 -11.0232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3487 -12.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5989 -6.9393 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4438 -8.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6401 -3.6392 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 10.8963 -11.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3487 -13.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3414 -6.5268 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4438 -8.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1039 -7.7643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8564 -3.5980 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.4652 -3.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1537 -12.2607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6474 -13.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0427 -6.9393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3827 -5.7018 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.1451 -9.3732 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1537 -13.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6474 -14.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0427 -7.7643 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 15.1451 -10.1982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8464 -8.9606 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4937 -13.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9461 -14.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7439 -8.1769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3414 -8.1769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.8464 -10.6107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4937 -14.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9461 -15.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7439 -8.9606 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8464 -11.4357 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7924 -14.6946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2036 -15.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4865 -9.4144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5477 -11.8482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7924 -15.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2036 -16.7571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4865 -10.2395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5477 -12.6733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0912 -15.9321 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1877 -10.6519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2902 -13.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.1877 -11.4770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2902 -13.8696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8478 -11.8895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9914 -14.2820 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.8478 -12.7145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.9914 -15.1071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5903 -13.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6927 -15.5196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5903 -13.9108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.6927 -16.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.2916 -14.3233 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6401 -2.8142 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 3 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 1 6 1 0 0 0 0 2 7 1 1 0 0 0 3 8 1 1 0 0 0 4 9 1 6 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 1 0 0 0 11 14 1 0 0 0 0 11 15 1 6 0 0 0 12 16 1 0 0 0 0 12 17 1 6 0 0 0 13 18 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 1 0 0 0 15 21 1 0 0 0 0 16 22 1 1 0 0 0 17 23 1 0 0 0 0 18 24 1 0 0 0 0 18 25 2 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 21 28 1 0 0 0 0 21 29 2 0 0 0 0 22 30 1 0 0 0 0 23 31 1 0 0 0 0 23 32 2 0 0 0 0 24 33 1 0 0 0 0 34 30 1 1 0 0 0 31 35 1 0 0 0 0 33 36 1 0 0 0 0 33 37 1 1 0 0 0 34 38 1 0 0 0 0 34 39 1 0 0 0 0 35 40 1 0 0 0 0 35 41 1 6 0 0 0 36 42 1 0 0 0 0 38 43 1 0 0 0 0 38 44 1 6 0 0 0 39 45 1 0 0 0 0 40 46 1 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 43 49 1 1 0 0 0 45 50 1 6 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 48 53 1 6 0 0 0 49 54 1 0 0 0 0 50 55 1 0 0 0 0 51 56 1 0 0 0 0 52 57 1 0 0 0 0 53 58 1 0 0 0 0 54 59 1 0 0 0 0 54 60 2 0 0 0 0 55 61 1 0 0 0 0 55 62 2 0 0 0 0 56 63 1 0 0 0 0 57 64 1 0 0 0 0 58 65 1 0 0 0 0 58 66 2 0 0 0 0 59 67 1 0 0 0 0 63 68 1 0 0 0 0 64 69 1 0 0 0 0 65 70 1 0 0 0 0 67 71 1 0 0 0 0 67 72 1 6 0 0 0 68 73 1 0 0 0 0 69 74 1 0 0 0 0 70 75 1 0 0 0 0 70 76 1 1 0 0 0 71 77 1 0 0 0 0 73 78 1 0 0 0 0 74 79 1 0 0 0 0 75 80 1 0 0 0 0 77 81 1 0 0 0 0 78 82 1 0 0 0 0 79 83 1 0 0 0 0 80 84 1 0 0 0 0 81 85 1 0 0 0 0 82 86 1 0 0 0 0 83 87 1 0 0 0 0 84 88 1 0 0 0 0 85 89 1 0 0 0 0 86 90 1 0 0 0 0 88 91 1 0 0 0 0 89 92 1 0 0 0 0 91 93 1 0 0 0 0 92 94 1 0 0 0 0 93 95 1 0 0 0 0 94 96 1 0 0 0 0 95 97 1 0 0 0 0 96 98 1 0 0 0 0 97 99 1 0 0 0 0 98100 1 0 0 0 0 99101 1 0 0 0 0 100102 1 0 0 0 0 101103 1 0 0 0 0 16 19 1 0 0 0 0 45 48 1 0 0 0 0 55104 1 0 0 0 0 5104 1 6 0 0 0 M END > M2MDB005112 > M2MDB > CCCCCCCCCCC[C@@H](O)CC(=O)N[C@H]1[C@@H](OP(O)(=O)O[C@H]2OC[C@H](N)[C@H](O)[C@H]2O)O[C@H](CO[C@@H]2O[C@H](CO)[C@@H](OP(O)(O)=O)[C@H](OC(=O)C[C@H](O)CCCCCCCCCCC)[C@H]2NC(=O)C[C@H](O)CCCCCCCCCCC)[C@@H](O)[C@@H]1OC(=O)C[C@H](O)CCCCCCCCCCC > InChI=1S/C73H139N3O26P2/c1-5-9-13-17-21-25-29-33-37-41-52(78)45-59(82)75-63-69(98-61(84)47-54(80)43-39-35-31-27-23-19-15-11-7-3)66(87)58(97-72(63)101-104(92,93)102-73-67(88)65(86)56(74)50-94-73)51-95-71-64(76-60(83)46-53(79)42-38-34-30-26-22-18-14-10-6-2)70(68(57(49-77)96-71)100-103(89,90)91)99-62(85)48-55(81)44-40-36-32-28-24-20-16-12-8-4/h52-58,63-73,77-81,86-88H,5-51,74H2,1-4H3,(H,75,82)(H,76,83)(H,92,93)(H2,89,90,91)/t52-,53-,54-,55-,56+,57-,58-,63-,64-,65+,66-,67-,68-,69-,70-,71-,72-,73-/m1/s1 > TYGQMXOPLFWYPM-ISFHUDAKSA-N > C73H139N3O26P2 > 1536.858 > 1535.912205604 > 22 > 243 > 173.16012211816556 > 0 > 14 > 0 > 0 > {[(2R,3S,4R,5R,6R)-6-{[(2R,3S,4R,5R,6R)-6-[({[(2R,3R,4S,5S)-5-amino-3,4-dihydroxyoxan-2-yl]oxy}(hydroxy)phosphoryl)oxy]-3-hydroxy-5-[(3R)-3-hydroxytetradecanamido]-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-2-yl]methoxy}-2-(hydroxymethyl)-5-[(3R)-3-hydroxytetradecanamido]-4-{[(3R)-3-hydroxytetradecanoyl]oxy}oxan-3-yl]oxy}phosphonic acid > 4.58 > 10.014515464057197 > -4.72 > 1 > 3 > -2 > 1.4095003568546396 > 0.640038694816123 > 8.790028835511695 > 458.1000000000001 > 385.44109999999995 > 64 > 0 > 2.90e-02 g/l > lipid iia > 0 > ECMDB23844 > Lipid IIA $$$$