Structure Database (LMSD)

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LMSD: Lipid classification search results

Vitamin D3 and derivatives [ST0302]

LM_ID Common Name Systematic Name Species Shorthand Formula Mass
LMST03020073 1alpha-hydroxy-24-(dimethoxyphosphoryl)-25,26,27-trinorvitamin D3 (5Z,7E)-(1S,3R)-24-(dimethoxyphosphoryl)-9,10-seco-5,7,10(19)-cholatriene-1,3-diol C26H43O5P 466.284813
LMST03020074 1alpha,25-dihydroxy-19-norvitamin D3 (7E)-(1R,3R)-19-nor-9,10-seco-5,7-cholestadiene-1,3,25-triol C26H44O3 404.329045
LMST03020075 1,25-dihydroxy-2-nor-1,2-secovitamin D3 (5Z,7E)-A-nor-(1,2)-(9,10)-diseco-5,7,10(19)-cholestatriene-1,3,25-triol C26H44O3 404.329045
LMST03020076 1alpha,26,26,26,27,27,27-heptafluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 (5Z,7E)-(1S,3R)-1,26,26,26,27,27,27-heptafluoro-9,10-seco-5,7,10(19),16-cholestatetraen-23-yne-3,25-diol C27H31O2F7 520.221226
LMST03020077 26,26,26,27,27,27-hexafluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 (5Z,7E)-(3S)-26,26,26,27,27,27-hexafluoro-9,10-seco-5,7,10(19),16-cholestatetraen-23-yne-3,25-diol C27H32O2F6 502.230648
LMST03020078 26,26,26,27,27,27-hexafluoro-1alpha,25-dihydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 (5Z,7E)-(1S,3R)-26,26,26,27,27,27-hexafluoro-9,10-seco-5,7,10(19),16-cholestatetraen-23-yne-1,3,25-triol C27H32O3F6 518.225563
LMST03020079 26,26,26,27,27,27-hexafluoro-25-hydroxy-23,23,24,24-tetradehydrovitamin D3 (5Z,7E)-(3S)-26,26,26,27,27,27-hexafluoro-9,10-seco-5,7,10(19)-cholestatrien-23-yne-3,25-diol C27H34O2F6 504.246298
LMST03020080 26,26,26,27,27,27-hexafluoro-1alpha,25-dihydroxy-23,23,24,24-tetradehydrovitamin D3 (5Z,7E)-(1S,3R)-26,26,26,27,27,27-hexafluoro-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,25-triol C27H34O3F6 520.241213
LMST03020081 (22E)-26,26,26,27,27,27-hexafluoro-25-hydroxy-22,23-didehydrovitamin D3 (5Z,7E,22E)-(3S)-26,26,26,27,27,27-hexafluoro-9,10-seco-5,7,10(19),22-cholestatetraene-3,25-diol C27H36O2F6 506.261948
LMST03020082 (22E)-26,26,26,27,27,27-hexafluoro-1alpha,25-dihydroxy-22,23-didehydrovitamin D3 (5Z,7E,22E)-(1S,3R)-26,26,26,27,27,27-hexafluoro-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol C27H36O3F6 522.256863
LMST03020083 (23E)-26,26,26,27,27,27-hexafluoro-1alpha,25-dihydroxy-23,24-didehydrovitamin D3 (5Z,7E,23E)-(1S,3R)-26,26,26,27,27,27-hexafluoro-9,10-seco-5,7,10(19),23-cholestatetraene-1,3,25-triol C27H36O3F6 522.256863
LMST03020084 1alpha-fluoro-25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 (5Z,7E)-(1S,3R)-1-fluoro-9,10-seco-5,7,10(19),16-cholestatetraen-23-yne-3,25-diol C27H37O2F 412.277758
LMST03020085 26,26,26,27,27,27-hexafluoro-1alphaa-hydroxyvitamin D3 (5Z,7E)-(1S,3R)-26,26,26,27,27,27-hexafluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol C27H38O2F6 508.277598
LMST03020086 26,26,26,27,27,27-hexafluoro-25-hydroxyvitamin D3 (5Z,7E)-(3S)-26,26,26,27,27,27-hexafluoro-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol C27H38O2F6 508.277598
LMST03020087 6,19-epidioxy-26,26,26,27,27,27-hexafluoro-25-hydroxy-6,19-dihydrovitamin D3 (7E)-(3S)-6,19-epidioxy-26,26,26,27,27,27-hexafluoro-9,10-seco-5(10),7-cholestadiene-3,25-diol C27H38O4F6 540.267428
LMST03020088 26,26,26,27,27,27-hexafluoro-1alpha,24-dihydroxyvitamin D3 (5Z,7E)-(1S,3R)-26,26,26,27,27,27-hexafluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol C27H38O3F6 524.272513
LMST03020089 26,26,26,27,27,27-hexafluoro-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1S,3R)-26,26,26,27,27,27-hexafluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C27H38O3F6 524.272513
LMST03020090 (23S)-26,26,26,27,27,27-hexafluoro-1alpha,23,25-trihydroxyvitamin D3 (5Z,7E)-(1S,3R,23S)-26,26,26,27,27,27-hexafluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,23,25-tetrol C27H38O4F6 540.267428
LMST03020091 25-hydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 (5Z,7E)-(3S)-9,10-seco-5,7,10(19),16-cholestatetraen-23-yne-3,25-diol C27H38O2 394.287180
LMST03020092 (22E)-1alpha-hydroxy-24-oxo-26,27-cyclo-22,23-didehydrovitamin D3 (5Z,7E,22E)-(1S,3R)-1,3-dihydroxy-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraen-24-one C27H38O3 410.282095
LMST03020093 24,25-epoxy-1alpha-hydroxy-22,22,23,23-tetradehydrovitamin D3 (5Z,7E)-(1S,3R)-24,25-epoxy-9,10-seco-5,7,10(19)-cholestatrien-22-yne-1,3-diol C27H38O3 410.282095
LMST03020094 25,26-epoxy-1alpha-hydroxy-23,23,24,24-tetradehydrovitamin D3 (5Z,7E)-(1S,3R)-25,26-epoxy-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3-diol C27H38O3 410.282095
LMST03020095 25,26-epoxy-1alpha-hydroxy-23,23,24,24-tetradehydro-20-epivitamin D3 (5Z,7E)-(1S,3R,20S)-25,26-epoxy-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3-diol C27H38O3 410.282095
LMST03020096 1alpha,25-dihydroxy-16,17,23,23,24,24-hexadehydrovitamin D3 (5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19),16-cholestatetraen-23-yne-1,3,25-triol C27H38O3 410.282095
LMST03020097 9,14,19,19,19-pentadeuterio-1alpha,25-dihydroxyprevitamin D3 / 9,14,19,19,19-pentadeuterio-1alpha,25-dihydroxyprecholecalciferol (6Z)-(1S,3R)-9,14,19,19,19-pentadeuterio-9,10-seco-5(10),6,8-cholestatriene-1,3,25-triol C27H39D5O3 421.360430
LMST03020098 (22E)-(25R)-26,26,26-trifluoro-1alpha,25-dihydroxy-22,23-didehydrovitamin D3 (5Z,7E,22E)-(1S,3R,25R)-26,26,26-trifluoro-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol C27H39O3F3 468.285129
LMST03020099 (22E)-(25S)-26,26,26-trifluoro-1alpha,25-dihydroxy-22,23-didehydrovitamin D3 (5Z,7E,22E)-(1S,3R,25S)-26,26,26-trifluoro-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol C27H39O3F3 468.285129
LMST03020100 25-hydroxy-16,17,23,24-tetradehydrovitamin D3 (5Z,7E,23E)-(3S)-9,10-seco-5,7,10(19),16,23-cholestapentaene-3,25-diol C27H40O2 396.302830
LMST03020101 (23Z)-25-hydroxy-16,17,23,24-tetradehydrovitamin D3 (5Z,7E,23Z)-(3S)-9,10-seco-5,7,10(19),16,23-cholestapentaene-3,25-diol C27H40O2 396.302830
LMST03020102 25-hydroxy-23,23,24,24-tetradehydrovitamin D3 (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatrien-23-yne-3,25-diol C27H40O2 396.302830
LMST03020103 1alpha-hydroxy-24-oxo-26,27-cyclovitamin D3 (5Z,7E)-(1S,3R)-1,3-dihydroxy-26,27-cyclo-9,10-seco-5,7,10(19)-cholestatrien-24-one C27H40O3 412.297745
LMST03020105 (22E)-(24R)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydrovitamin D3 (5Z,7E,22E)-(1S,3R,24R)-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol C27H40O3 412.297745
LMST03020106 (22E)-(24S)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydrovitamin D3 (5Z,7E,22E)-(1S,3R,24S)-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol C27H40O3 412.297745
LMST03020107 (22E)-(24R)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydro-20-epivitamin D3 (5Z,7E,22E)-(1S,3R,20S,24R)-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol C27H40O3 412.297745
LMST03020108 (22E)-(24S)-1alpha,24-dihydroxy-26,27-cyclo-22,23-didehydro-20-epivitamin D3 (5Z,7E,22E)-(1S,3R,20S,24S)-26,27-cyclo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,24-triol C27H40O3 412.297745
LMST03020109 (23E)-1alpha,25-dihydroxy-16,17,23,24-tetradehydrovitamin D3 (5Z,7E,23E)-(1S,3R)-9,10-seco-5,7,10(19),16,23-cholestapentaene-1,3,25-triol C27H40O3 412.297745
LMST03020110 (23Z)-1alpha,25-dihydroxy-16,17,23,24-tetradehydrovitamin D3 (5Z,7E,23Z)-(1S,3R)-9,10-seco-5,7,10(19),16,23-cholestapentaene-1,3,25-triol C27H40O3 412.297745
LMST03020111 (23R)-1alpha,25-dihydroxy-22,23,23,24-tetradehydrovitamin D3 (5Z,7E)-(1S,3R,23R)-9,10-seco-5,7,10(19),22,23-cholestapentaene-1,3,25-triol C27H40O3 412.297745
LMST03020112 (23S)-1alpha,25-dihydroxy-22,23,23,24-tetradehydrovitamin D3 / (23S)-1alpha,25-dihydroxy-22,23,23,24-tetradehydrocholecalciferol (5Z,7E)-(1S,3R,23S)-9,10-seco-5,7,10(19),22,23-cholestapentaene-1,3,25-triol C27H40O3 412.297745
LMST03020113 1alpha,25-dihydroxy-23,23,24,24-tetradehydrovitamin D3 (5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,25-triol C27H40O3 412.297745
LMST03020114 (22E,24E)-1alpha,26a-dihydroxy-22,23,24,25-tetradehydro-26a-homo-27-norvitamin D3 (5Z,7E,22E,24E)-(1S,3R)-26a-homo-27-nor-9,10-seco-5,7,10(19),22,24-cholestapentaene-1,3,26a-triol C27H40O3 412.297745
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