LMSL01050002 LIPID_MAPS_STRUCTURE_DATABASE 97 98 0 0 0 999 V2000 24.8946 -4.4580 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.7528 -6.3753 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 21.9364 -7.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.0645 -5.4869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2338 -4.0130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.1854 -3.9938 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.9384 -4.7155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6815 -5.6741 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7200 -5.9303 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.0207 -5.2293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2776 -4.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.5783 -3.5695 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9269 -5.3873 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5171 -4.8598 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.3614 -2.9426 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9782 -2.7693 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7866 -1.4609 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.2303 -3.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5237 -4.4286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.5646 -4.1631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.3165 -3.2044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0232 -2.5077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7749 -1.5489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2570 -7.2342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7528 -8.0932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2570 -8.9520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7528 -9.8109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2570 -10.6698 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7528 -11.5287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2570 -12.3876 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7528 -13.2465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2570 -14.1054 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4311 -6.2461 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9269 -7.1051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4311 -7.9640 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9269 -8.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4311 -9.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4311 -11.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9269 -12.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4311 -13.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7733 -5.7187 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2692 -6.5776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7733 -7.4365 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2692 -8.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7733 -9.1543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2692 -10.0132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7733 -10.8721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2692 -11.7310 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7733 -12.5899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2692 -13.4488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7816 -5.7187 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.4393 -6.2461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.2651 -7.2342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4201 -8.9520 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7182 -7.9640 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.7816 -7.4365 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.2222 -8.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7182 -9.6817 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2222 -10.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7182 -11.3996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2222 -12.2584 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7182 -13.1173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5715 -8.8229 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 18.9269 -10.5407 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7528 -14.9643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.2570 -15.8232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.7528 -16.6821 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9269 -13.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4311 -14.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.9269 -15.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2222 -13.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7182 -14.8352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2222 -15.6940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7182 -16.5529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2222 -17.4119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7182 -18.2707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7733 -14.3077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2692 -15.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7541 -4.9528 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 26.8294 -4.9207 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 25.7554 -5.9446 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 26.1558 -3.9610 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3697 -2.9368 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 14.8688 -3.7928 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.6619 -2.3850 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.6536 -2.0809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9221 -9.8145 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9262 -9.8145 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.4201 -10.6770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9221 -11.5395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4201 -12.4020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9221 -13.2644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4201 -14.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9221 -14.9894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4201 -15.8519 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.9221 -16.7143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.4201 -17.5769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6 12 1 0 0 0 11 5 1 0 0 0 5 7 1 0 0 0 7 8 1 0 0 0 8 9 1 0 0 0 9 10 1 0 0 0 10 11 1 0 0 0 11 12 1 1 0 0 7 1 1 6 0 0 8 2 1 6 0 0 9 3 1 1 0 0 10 4 1 6 0 0 17 23 1 0 0 0 22 16 1 0 0 0 16 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 1 0 0 18 6 1 1 0 0 19 13 1 6 0 0 20 14 1 1 0 0 21 15 1 6 0 0 2 24 1 0 0 0 24 25 1 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 13 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 14 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 47 48 1 0 0 0 48 49 1 0 0 0 49 50 1 0 0 0 41 51 2 0 0 0 33 52 2 0 0 0 24 53 2 0 0 0 26 54 1 1 0 0 35 55 1 1 0 0 43 56 1 1 0 0 55 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 0 0 0 61 62 1 0 0 0 57 63 2 0 0 0 64 38 1 0 0 0 37 64 1 0 0 0 32 65 1 0 0 0 65 66 1 0 0 0 66 67 1 0 0 0 40 68 1 0 0 0 68 69 1 0 0 0 69 70 1 0 0 0 62 71 1 0 0 0 71 72 1 0 0 0 72 73 1 0 0 0 73 74 1 0 0 0 74 75 1 0 0 0 75 76 1 0 0 0 50 77 1 0 0 0 77 78 1 0 0 0 1 79 1 0 0 0 79 80 1 0 0 0 79 81 2 0 0 0 79 82 1 0 0 0 15 83 1 0 0 0 83 84 2 0 0 0 83 85 1 0 0 0 83 86 1 0 0 0 54 87 1 0 0 0 87 88 2 0 0 0 87 89 1 0 0 0 89 90 1 0 0 0 90 91 1 0 0 0 91 92 1 0 0 0 92 93 1 0 0 0 93 94 1 0 0 0 94 95 1 0 0 0 95 96 1 0 0 0 96 97 1 0 0 0 M END > LMSL01050002 > Alkalimonas delamerensis Lipid A Penta-acyl form > > C70H132N2O23P2 > 1430.87 > Saccharolipids [SL] > Acylaminosugars [SL01] > Pentaacylaminosugars [SL0105] > - > > MUSMANHMXROOTP-XMHDWVHVSA-N > InChI=1S/C70H132N2O23P2/c1-6-11-16-21-26-27-32-37-42-47-61(78)90-55(45-40-35-30-24-19-14-9-4)50-59(76)72-64-68(93-62(79)48-53(74)43-38-33-28-22-17-12-7-2)67(94-96(82,83)84)56(51-73)91-69(64)88-52-57-65(80)66(81)63(70(92-57)95-97(85,86)87)71-58(75)49-54(44-39-34-29-23-18-13-8-3)89-60(77)46-41-36-31-25-20-15-10-5/h53-57,63-70,73-74,80-81H,6-52H2,1-5H3,(H,71,75)(H,72,76)(H2,82,83,84)(H2,85,86,87)/t53-,54-,55-,56-,57-,63-,64-,65-,66-,67-,68-,69-,70-/m1/s1 > O(P(O)(=O)O)[C@@H]1[C@H](NC(=O)C[C@H](OC(CCCCCCCCC)=O)CCCCCCCCC)[C@@H](O)[C@H](O)[C@@H](CO[C@H]2[C@H](NC(=O)C[C@H](OC(=O)CCCCCCCCCCC)CCCCCCCCC)[C@@H](OC(=O)C[C@H](O)CCCCCCCCC)[C@H](OP(O)(O)=O)[C@@H](CO)O2)O1 > - > - > - > - > - > - > 139583276 > - > - > - > - > - > 265981 > - $$$$