LMFA07050105 LIPID_MAPS_STRUCTURE_DATABASE 84 90 0 0 0 0 999 V2000 -5.2720 -9.3774 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.9394 -8.8925 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5269 -10.1620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.6069 -9.3774 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.3519 -10.1620 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0420 -10.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0177 -13.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2749 -13.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7322 -13.8309 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.4466 -13.4184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1611 -13.8309 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.7038 -12.1809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4466 -12.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7038 -11.3559 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -14.1327 -11.3559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.4183 -10.9433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.9893 -10.1183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.1163 -8.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7038 -9.7058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2913 -8.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4183 -10.1183 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.1328 -9.7058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.2749 -9.7058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6249 -9.7058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9749 -9.7058 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4499 -8.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4499 -10.5308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7999 -8.8808 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7999 -10.5308 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4499 -9.7058 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -8.7999 -9.7058 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -7.3915 -9.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8369 -10.8295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6619 -11.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0119 -11.6545 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8369 -11.6545 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 -6.8369 -12.4795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4874 -9.1225 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8742 -9.6745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1518 -8.3688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1598 -9.2620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8742 -10.4995 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3313 -8.4550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4453 -9.6744 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1597 -10.9119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4453 -10.4994 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7309 -9.2619 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.5604 -13.4184 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 -9.8459 -14.6559 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8459 -13.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1314 -12.5934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1314 -13.4184 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4170 -14.6559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7025 -15.0684 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3450 -17.7983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0594 -18.2108 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3450 -19.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9160 -19.4483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9160 -16.9733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7025 -18.0532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2176 -17.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4170 -15.4809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7025 -15.8934 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9880 -15.4809 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6305 -19.0358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.6305 -19.8608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6305 -18.2108 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.6305 -17.3858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4871 -16.9733 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4871 -16.1483 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2016 -16.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.0594 -19.0358 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -12.7739 -19.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2016 -19.0358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.4871 -19.4483 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.2016 -18.2108 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.2016 -17.3858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9160 -17.7983 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.9160 -18.6233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4871 -17.7983 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.4871 -18.6233 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7025 -16.7184 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9056 -16.5049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4170 -13.8309 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 38 1 1 0 0 0 2 1 1 0 0 0 0 3 1 1 0 0 0 0 4 2 1 0 0 0 0 5 3 1 0 0 0 0 3 6 1 6 0 0 0 4 32 1 1 0 0 0 5 4 1 0 0 0 0 5 33 1 6 0 0 0 9 7 1 0 0 0 0 7 8 1 0 0 0 0 8 48 1 0 0 0 0 10 9 1 0 0 0 0 13 10 1 0 0 0 0 10 11 2 0 0 0 0 12 14 1 0 0 0 0 13 12 1 0 0 0 0 16 14 1 0 0 0 0 16 15 2 0 0 0 0 16 21 1 0 0 0 0 19 17 1 0 0 0 0 17 23 1 0 0 0 0 19 18 1 0 0 0 0 21 19 1 0 0 0 0 19 20 1 0 0 0 0 21 22 1 6 0 0 0 23 30 1 0 0 0 0 30 24 1 0 0 0 0 24 31 1 0 0 0 0 31 25 1 0 0 0 0 32 25 1 0 0 0 0 30 26 2 0 0 0 0 30 27 1 0 0 0 0 31 28 2 0 0 0 0 31 29 1 0 0 0 0 33 36 1 0 0 0 0 36 34 1 0 0 0 0 36 35 1 0 0 0 0 36 37 2 0 0 0 0 39 38 1 0 0 0 0 40 38 1 0 0 0 0 41 39 2 0 0 0 0 42 39 1 0 0 0 0 43 40 2 0 0 0 0 44 41 1 0 0 0 0 43 41 1 0 0 0 0 45 42 2 0 0 0 0 46 44 2 0 0 0 0 47 44 1 0 0 0 0 46 45 1 0 0 0 0 48 50 1 0 0 0 0 50 49 2 0 0 0 0 50 52 1 0 0 0 0 52 51 1 6 0 0 0 52 84 1 0 0 0 0 84 53 1 0 0 0 0 53 54 1 0 0 0 0 63 54 1 6 0 0 0 82 63 1 0 0 0 0 55 56 1 0 0 0 0 55 67 1 0 0 0 0 56 72 1 0 0 0 0 72 57 1 0 0 0 0 57 65 1 0 0 0 0 78 67 1 0 0 0 0 67 65 1 0 0 0 0 65 58 1 0 0 0 0 58 74 1 0 0 0 0 74 76 1 0 0 0 0 76 80 1 0 0 0 0 78 76 1 0 0 0 0 59 78 1 0 0 0 0 71 59 1 0 0 0 0 71 69 1 0 0 0 0 80 60 1 0 0 0 0 69 80 1 0 0 0 0 82 69 1 0 0 0 0 82 61 1 0 0 0 0 60 61 1 0 0 0 0 63 62 1 0 0 0 0 63 64 1 0 0 0 0 65 66 1 1 0 0 0 67 68 1 1 0 0 0 69 70 1 1 0 0 0 72 73 1 6 0 0 0 74 75 1 6 0 0 0 76 77 1 1 0 0 0 78 79 1 6 0 0 0 80 81 1 6 0 0 0 82 83 1 6 0 0 0 M END > LMST04030232 > (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oyl-CoA > 3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate} > C48H80N7O19P3S > 1183.44 > Sterol Lipids [ST] > Bile acids and derivatives [ST04] > C27 bile acids, alcohols, and derivatives [ST0403] > - > > - > HMDB0060304 > - > 48474 > - > - > - > - > - > 24755558 > - > - > Active > - > https://lipidmaps.org/databases/lmsd/LMST04030232 $$$$