Structure Database (LMSD)

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LMSD: Lipid classification search results

Secosteroids [ST03]

LM_ID Common Name Systematic Name Species Shorthand Formula Mass
LMST03020115 (23R,25R)-25-hydroxyvitamin D3 26,23-lactone (5Z,7E)-(3S,23R,25R)-3,25-dihydroxy-9,10-seco-5,7,10(19)-cholestatrieno-26,23-lactone C27H40O4 428.292660
LMST03020116 (23S,25R)-25-hydroxyvitamin D3 26,23-lactone (5Z,7E)-(3S,23S,25R)-3,25-dihydroxy-9,10-seco-5,7,10(19)-cholestatrieno-26,23-lactone C27H40O4 428.292660
LMST03020117 (23R,25S)-25-hydroxyvitamin D3 26,23-lactone (5Z,7E)-(3S,23R,25S)-3,25-dihydroxy-9,10-seco-5,7,10(19)-cholestatrieno-26,23-lactone C27H40O4 428.292660
LMST03020118 (23S,25S)-25-hydroxyvitamin D3 26,23-lactone (5Z,7E)-(3S,23S,25S)-3,25-dihydroxy-9,10-seco-5,7,10(19)-cholestatrieno-26,23-lactone C27H40O4 428.292660
LMST03020119 (22E)-(24R,25R)-25,26-epoxy-1alpha,24-dihydroxy-22,23-didehydrovitamin D3 (5Z,7E,22E)-(1S,3R,24R,25R)-25,26-epoxy-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol C27H40O4 428.292660
LMST03020120 (22E)-(24S,25S)-25,26-epoxy-1alpha,24-dihydroxy-22,23-didehydrovitamin D3 (5Z,7E,22E)-(1S,3R,24S,25S)-25,26-epoxy-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol C27H40O4 428.292660
LMST03020121 (23S,25R)-25-hydroxyvitamin D3 26,23-peroxylactone (5Z,7E)-(3S,23S,25R)-3,25-dihydroxy-9,10-seco-5,7,10(19)-cholestatrieno-26,23-peroxylactone C27H40O5 444.287575
LMST03020122 (23R,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lactone (5Z,7E)-(1S,3R,23R,25R)-1,3,25-trihydroxy-9,10-seco-5,7,10(19)-cholestatrieno-26,23-lactone C27H40O5 444.287575
LMST03020123 (23S,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lactone (5Z,7E)-(1S,3R,23S,25R)-1,3,25-trihydroxy-9,10-seco-5,7,10(19)-cholestatrieno-26,23-lactone C27H40O5 444.287575
LMST03020124 (23R,25S)-1alpha,25-dihydroxyvitamin D3 26,23-lactone (5Z,7E)-(1S,3R,23R,25S)-1,3,25-trihydroxy-9,10-seco-5,7,10(19)-cholestatrieno-26,23-lactone C27H40O5 444.287575
LMST03020125 (23S,25S)-1alpha,25-dihydroxyvitamin D3 26,23-lactone (5Z,7E)-(1S,3R,23S,25S)-1,3,25-trihydroxy-9,10-seco-5,7,10(19)-cholestatrieno-26,23-lactone C27H40O5 444.287575
LMST03020126 (5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]vitamin D3 (5E,7E)-(3S,24R)-[6,19,19-trideuterio-]-9,10-seco-5,7,10(19)-cholestatriene-3,24,25-triol C27H41D3O3 419.347876
LMST03020127 (20R,24R)-20-fluoro-1alpha,24-dihydroxy-26,27-cyclovitamin D3 (5Z,7E)-(1S,3R,20R,24R)-20-fluoro-26,27-cyclo-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol C27H41O3F 432.303973
LMST03020128 (20S,24R)-20-fluoro-1alpha,24-dihydroxy-26,27-cyclovitamin D3 (5Z,7E)-(1S,3R,20S,24R)-20-fluoro-26,27-cyclo-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol C27H41O3F 432.303973
LMST03020129 (20R,24S)-20-fluoro-1alpha,24-dihydroxy-26,27-cyclovitamin D3 (5Z,7E)-(1S,3R,20R,24S)-20-fluoro-26,27-cyclo-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol C27H41O3F 432.303973
LMST03020130 (20S,24S)-20-fluoro-1alpha,24-dihydroxy-26,27-cyclovitamin D3 (5Z,7E)-(1S,3R,20S,24S)-20-fluoro-26,27-cyclo-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol C27H41O3F 432.303973
LMST03020131 26,26,26-trifluoro-25-hydroxyvitamin D3 (5Z,7E)-(3S)-26,26,26-trifluoro-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol C27H41O2F3 454.305864
LMST03020132 (25R)-26,26,26-trifluoro-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1S,3R,25R)-26,26,26-trifluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C27H41O3F3 470.300779
LMST03020133 (25S)-26,26,26-trifluoro-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1S,3R,25S)-26,26,26-trifluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C27H41O3F3 470.300779
LMST03020134 4,4-difluorovitamin D3 (5E,7E)-(3S)-4,4-difluoro-9,10-seco-5,7,10(19)-cholestatrien-3-ol C27H42OF2 420.320371
LMST03020135 (5Z)-4,4-difluorovitamin D3 (5Z,7E)-(3S)-4,4-difluoro-9,10-seco-5,7,10(19)-cholestatrien-3-ol C27H42OF2 420.320371
LMST03020136 1alpha,25-difluorovitamin D3 (5Z,7E)-(1S,3R)-1,25-difluoro-9,10-seco-5,7,10(19)-cholestatrien-3-ol C27H42OF2 420.320371
LMST03020137 24,24-difluoro-1alpha-hydroxyvitamin D3 (5Z,7E)-(1S,3R)-24,24-difluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol C27H42O2F2 436.315286
LMST03020138 4,4-difluoro-1alpha-hydroxyvitamin D3 (5E,7E)-(1S,3S)-4,4-difluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol C27H42O2F2 436.315286
LMST03020139 (5Z)-4,4-difluoro-1alpha-hydroxyvitamin D3 (5Z,7E)-(1S,3S)-4,4-difluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol C27H42O2F2 436.315286
LMST03020140 23,23-difluoro-25-hydroxyvitamin D3 (5Z,7E)-(3S)-23,23-difluoro-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol C27H42O2F2 436.315286
LMST03020141 24,24-difluoro-25-hydroxyvitamin D3 (5Z,7E)-(3S)-24,24-difluoro-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol C27H42O2F2 436.315286
LMST03020142 4,4-difluoro-1alpha,25-dihydroxyvitamin D3 (5E,7E)-(1S,3S)-4,4-difluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C27H42O3F2 452.310201
LMST03020143 (5Z)-4,4-difluoro-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1S,3S)-4,4-difluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C27H42O3F2 452.310201
LMST03020144 23,23-difluoro-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1S,3R)-23,23-difluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C27H42O3F2 452.310201
LMST03020145 24,24-difluoro-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1S,3R)-24,24-difluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C27H42O3F2 452.310201
LMST03020146 (6RS)-6,19-epidioxy-24,24-difluoro-25-hydroxy-6,19-dihydrovitamin D3 (7E)-(3S, 6RS)-6,19-epidioxy-24,24-difluoro-9,10-seco-5(10),7-cholestadiene-3,25-diol C27H42O4F2 468.305116
LMST03020160 24,25-epoxy-1alpha-hydroxyvitamin D3 (5Z,7E)-(1S,3R)-24,25-epoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol C27H42O3 414.313395
LMST03020161 25,26-epoxy-1alpha-hydroxyvitamin D3 (5Z,7E)-(1S,3R)-25,26-epoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol C27H42O3 414.313395
LMST03020162 24,25-epoxy-1alpha-hydroxy-23,23-dimethyl-26,27-dinorvitamin D3 (5Z,7E)-(1S,3R)-24,25-epoxy-23,23-dimethyl-26,27-dinor-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol C27H42O3 414.313395
LMST03020174 1alpha,25-dihydroxy-6,7-didehydroprevitamin D3 / 1alpha,25-dihydroxy-6,7-didehydroprecholecalciferol (1S,3R)-9,10-seco-5(10),8-cholestadien-6-yne-1,3,25-triol C27H42O3 414.313395
LMST03020175 1beta,25-dihydroxy-6,7-didehydro-3-epiprevitamin D3 / 1beta,25-dihydroxy-6,7-didehydro-3-epiprecholecalciferol (1R,3S)-9,10-seco-5(10),8-cholestadien-6-yne-1,3,25-triol C27H42O3 414.313395
LMST03020176 (17S,20S)-1alpha,25-dihydroxy-17,20-methano-21-norvitamin D3 (5Z,7E)-(1S,3R,17S,20S)-17,20-methano-21-nor-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C27H42O3 414.313395
LMST03020177 (17S,20R)-1alpha,25-dihydroxy-17,20-methano-21-norvitamin D3 (5Z,7E)-(1S,3R,17S,20R)-17,20-methano-21-nor-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C27H42O3 414.313395
LMST03020181 (24R,25R)-25,26-epoxy-1alpha,24-dihydroxyvitamin D3 (5Z,7E)-(1S,3R,24R,25R)-25,26-epoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol C27H42O4 430.308310
LMST03020182 (24R,25S)-25,26-epoxy-1alpha,24-dihydroxyvitamin D3 (5Z,7E)-(1S,3R,24R,25S)-25,26-epoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol C27H42O4 430.308310
LMST03020183 (24S,25R)-25,26-epoxy-1alpha,24-dihydroxyvitamin D3 (5Z,7E)-(1S,3R,24S,25R)-25,26-epoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol C27H42O4 430.308310
LMST03020184 (24S,25S)-25,26-epoxy-1alpha,24-dihydroxyvitamin D3 (5Z,7E)-(1S,3R,24S,25S)-25,26-epoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol C27H42O4 430.308310
LMST03020188 (23S,25R)-25-hydroxyvitamin D3 26,23-lactol (5Z,7E)-(3S,23S,25R)-3,25-dihydroxy-9,10-seco-5,7,10(19)-cholestatrieno-26,23-lactol C27H42O4 430.308310
LMST03020193 (23S,25R)-1alpha,25-dihydroxyvitamin D3 26,23-lactol (5Z,7E)-(1S,3R,23S,25R)-1,3,25-trihydroxy-9,10-seco- 5,7,10,(19)-cholestatrieno-26,23-lactol C27H42O5 446.303225
LMST03020194 (23R)-1alpha,23,25-trihydroxy-24-oxovitamin D3 (5Z,7E)-(1S,3R,23R)-1,3,23,25-tetrahydroxy-9-10-seco-5,7,10(19)-cholestatrien-24-one C27H42O5 446.303225
LMST03020195 (23S)-1alpha,23,25-trihydroxy-24-oxovitamin D3 (5Z,7E)-(1S,3R,23S)-1,3,23,25-tetrahydroxy-9-10-seco-5,7,10(19)-cholestatrien-24-one C27H42O5 446.303225
LMST03020196 2alpha-chloro-1beta,25-dihydroxyvitamin D3 (5Z,7E)-(1S,2S,3R)-2-chloro-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C27H43O3Cl 450.290073
LMST03020197 6-fluorovitamin D3 (5E,7E)-(3S)-6-fluoro-9,10-seco-5,7,10(19)-cholestatrien-3-ol C27H43OF 402.329793
LMST03020198 (10Z)-19-fluorovitamin D3 (5Z,7E,10Z)-(3S)-19-fluoro-9,10-seco-5,7,10(19)-cholestatrien-3-ol C27H43OF 402.329793