Structure Database (LMSD)

LM_ID Common Name Systematic Name Main class Sub class Mass Formula
LMST03010072 Vitamin D2 3-glucuronide Secosteroids [ST03] Vitamin D2 and derivatives [ST0301] 572.37 C34H52O7
LMST03010070 Vitamin D2 glucosiduronate (5Z,7E,22E)-(3S,24S)-9,10-seco-5,7,10(19),22-ergostatetraen-3-glucosiduronate Secosteroids [ST03] Vitamin D2 and derivatives [ST0301] 572.37 C34H52O7
LMST03010056 dihydrotachysterol2 (5E,7E,22E)-(3S,10S)-9,10-seco-5,7,22-ergostatrien-3-ol Secosteroids [ST03] Vitamin D2 and derivatives [ST0301] 398.35 C28H46O
LMST03010017 isotachysterol2 (6E,22E)-(3S)-9,10-seco-5(10),6,8(14),22-ergostatetraen-3-ol Secosteroids [ST03] Vitamin D2 and derivatives [ST0301] 396.34 C28H44O
LMST04030163 paricalcitol (1R,3R,7E)-17beta-[(2R,3E,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-9,10-secoestra-5,7-diene-1,3-diol Secosteroids [ST03] Vitamin D2 and derivatives [ST0301] 416.33 C27H44O3
LMST03010015 previtamin D2 (6Z,24E)-(3S)-9,10-seco-5(10),6,8,22-ergostatetraen-3-ol Secosteroids [ST03] Vitamin D2 and derivatives [ST0301] 396.34 C28H44O
LMST03010016 tachysterol2 (6E,22E)-(3S)-9,10-seco-5(10),6,8,22-ergostatetraen-3-ol Secosteroids [ST03] Vitamin D2 and derivatives [ST0301] 396.34 C28H44O
LMST03010038 (7E,22E)-(3S,6R)-6-hydroperoxy-9,10-seco-4,7,10(19),22-ergostatetraen-3-ol Secosteroids [ST03] Vitamin D2 and derivatives [ST0301] 428.33 C28H44O3
LMST03010039 (7E,22E)-(3S,6S)-6-hydroperoxy-9,10-seco-4,7,10(19),22-ergostatetraen-3-ol Secosteroids [ST03] Vitamin D2 and derivatives [ST0301] 428.33 C28H44O3
LMST03020493 (10E)-19-(3-carboxylpropyl)vitamin D3 (5Z,7E,10E)-(3S)-19-(3-carboxylpropyl)-9,10-seco-5,7,10(19)-cholestatrien-3-ol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 470.38 C31H50O3
LMST03020213 (10E)-19-fluoro-1alpha,25-dihydroxyvitamin D3 (5Z,7E,10E)-(1S,3R)-19-fluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 434.32 C27H43O3F
LMST03020199 (10E)-19-fluorovitamin D3 (5Z,7E,10E)-(3S)-19-fluoro-9,10-seco-5,7,10(19)-cholestatrien-3-ol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 402.33 C27H43OF
LMST03020334 (10E)-19-methylvitamin D3 (5Z,7E,10E)-(3S)-19-methyl-9,10-seco-5,7,10(19)-cholestatrien-3-ol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 398.35 C28H46O
LMST03020598 (10R)-1alpha,19,25-trihydroxy-10,19-dihydrovitamin D3 (5Z,7E)-(1S,3R,10R)-9,10-seco-5,7-cholestadiene-1,3,19,25-tetrol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 434.34 C27H46O4
LMST03020597 (10S)-1alpha,19,25-trihydroxy-10,19-dihydrovitamin D3 (5Z,7E)-(1S,3R,10S)-9,10-seco-5,7-cholestadiene-1,3,19,25-tetrol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 434.34 C27H46O4
LMST03020212 (10Z)-19-fluoro-1alpha,25-dihydroxyvitamin D3 (5Z,7E,10Z)-(1S,3R)-19-fluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 434.32 C27H43O3F
LMST03020198 (10Z)-19-fluorovitamin D3 (5Z,7E,10Z)-(3S)-19-fluoro-9,10-seco-5,7,10(19)-cholestatrien-3-ol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 402.33 C27H43OF
LMST03020035 (17E)-1alpha,25-dihydroxy-17,20-didehydro-21-norvitamin D3 (5Z,7E,17E)-(1S,3R)-21-nor-9,10-seco-5,7,10(19),17-cholestatetraene-1,3,25-triol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 400.3 C26H40O3
LMST03020444 (17E)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a-homovitamin D3 (5Z,7E,17E)-(1S,3R)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19),17(20)-cholestatetraen-22-yne-1,3,25-triol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 452.33 C30H44O3
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 Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 414.31 C27H42O3
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 Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 414.31 C27H42O3
LMST03020036 (17Z)-1alpha,25-dihydroxy-17,20-didehydro-21-norvitamin D3 (5Z,7E,17Z)-(1S,3R)-21-nor-9,10-seco-5,7,10(19),17-cholestatetraene-1,3,25-triol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 400.3 C26H40O3
LMST03020480 (17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a,24b-dihomovitamin D3 (5Z,7E,17Z)-(1S,3R)-26,27-dimethyl-24a,24b-dihomo-9,10-seco-5,7,10(19),17(20)-cholestatetraen-22-yne-1,3,25-triol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 466.34 C31H46O3
LMST03020445 (17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydro-24a-homovitamin D3 (5Z,7E,17Z)-(1S,3R)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19),17(20)-cholestatetraen-22-yne-1,3,25-triol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 452.33 C30H44O3
LMST03020391 (17Z)-1alpha,25-dihydroxy-26,27-dimethyl-17,20,22,22,23,23-hexadehydrovitamin D3 (5Z,7E,17Z)-(1S,3R)-26,27-dimethyl-9,10-seco-5,7,10(19),17(20)-cholestatetraen-22-yne-1,3,25-triol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 438.31 C29H42O3
LMST03020340 (1R)-25-hydroxy-1-(hydroxymethyl)vitamin D3 (5Z,7E)-(1R,3R)-1-(hydroxymethyl)-9,10-seco-5,7,10,(19)-cholestatriene-3,25-diol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 430.34 C28H46O3
LMST03020688 (1S)-1-hydroxy-23,24-didehydro-25,26,27-trinorcalciol (1S,3R,5Z,7E)-9,10-secochola-5,7,10,23-tetraene-1,3-diol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 356.27 C24H36O2
LMST03020687 (1S)-1-hydroxy-23-oxo-24,25,26,27-tetranorcalciol (1S,3R,5Z,7E)-1,3-dihydroxy-24-nor-9,10-secochola-5,7,10(19)-trien-23-al Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 358.25 C23H34O3
LMST03020341 (1S)-25-hydroxy-1-(hydroxymethyl)vitamin D3 (5Z,7E)-(1S,3S)-1-(hydroxymethyl)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 430.34 C28H46O3
LMST03020585 (20R)-1alpha,25-dihydroxy-20-phenyl-16,17-didehydro-21-norvitamin D3 (5Z,7E)-(1S,3R,20R)-20-phenyl-21-nor-9,10-seco-5,7,10(19),16-cholestatetraene-1,3,25-triol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 476.33 C32H44O3
LMST03020630 (20R)-24-Hydroxy-19-norgeminivitamin D3 (7E)-(1S,3R,20R)-20-(3R,4-dihydroxy-4-methy-propyl)-19-nor-9,10-seco-5,7-cholestadien-1,3,25-triol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 506.4 C31H54O5
LMST03020631 (20R)-24-Hydroxygeminivitamin D3 (5Z,7E)-(1S,3R,20R)-20-(3R,4-dihydroxy-4-methy-propyl)-9,10-seco-5,7,10(19)-cholestatrien-1,3,25-triol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 518.4 C32H54O5
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 Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 432.3 C27H41O3F
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 Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 432.3 C27H41O3F
LMST03020437 (20S)-14alpha,20,25-trihydroxy-26,27-dimethylvitamin D3 (5Z,7E)-(1S,3R,20S)-26,27-dimethyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,20,25-tetrol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 460.36 C29H48O4
LMST03020064 (20S)-1alpha,20,25-trihydroxy-24-norvitamin D3 (5Z,7E)-(1S,3R,20S)-24-nor-9,10-seco-5,7,10(19)-cholestatriene-1,3,20,25-tetrol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 418.31 C26H42O4
LMST03020436 (20S)-1alpha,20,25-trihydroxy-24a,24b-dihomovitamin D3 (5Z,7E)-(1S,3R,20S)-24a,24b-dihomo-9,10-seco-5,7,10(19)-cholestatriene-1,3,20,25-tetrol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 460.36 C29H48O4
LMST03020387 (20S)-1alpha,20,25-trihydroxy-24a-homovitamin D3 (5Z,7E)-(1S,3R,20S)-24a-homo-9,10-seco-5,7,10(19)-cholestatriene-1,3,20,25-tetrol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 446.34 C28H46O4
LMST03020506 (20S)-1alpha,20,25-trihydroxy-26,27-diethylvitamin D3 (5Z,7E)-(1S,3R,20S)-26,27-diethyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,20,25-tetrol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 488.39 C31H52O4
LMST03020475 (20S)-1alpha,20,25-trihydroxy-26,27-dimethyl-24a-homovitamin D3 (5Z,7E)-(1S,3R,20S)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatriene-1,3,20,25-tetrol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 460.36 C29H48O4
LMST03020290 (20S)-1alpha,20,25-trihydroxyvitamin D3 (5Z,7E)-(1S,3R,20S)-9,10-seco-5,7,10(19)-cholestatriene-1,3,20,25-tetrol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 432.32 C27H44O4
LMST03020006 (20S)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorvitamin D3 (5Z,7E)-(1S,3R,20S)-9,10-seco-5,7,10(19)-pregnatriene-1,3,20-triol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 332.24 C21H32O3
LMST03020525 (20S)-1alpha,25-dihydroxy-20-ethoxy-26,27-dimethyl-24a-homovitamin D3 (5Z,7E)-(1S,3R,20S)-20-ethoxy-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 502.4 C32H54O4
LMST03020505 (20S)-1alpha,25-dihydroxy-20-ethoxy-26,27-dimethylvitamin D3 (5Z,7E)-(1S,3R,20S)-20-ethoxy-26,27-dimethyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 488.39 C31H52O4
LMST03020428 (20S)-1alpha,25-dihydroxy-20-methoxy-24a-homovitamin D3 (5Z,7E)-(1S,3R,20S)-20-methoxy-24a-homo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 460.36 C29H48O4
LMST03020524 (20S)-1alpha,25-dihydroxy-20-methoxy-26,27-diethylvitamin D3 (5Z,7E)-(1S,3R,20S)-20-methoxy-26,27-diethyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 502.4 C32H54O4
LMST03020502 (20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethyl-24a-homovitamin D3 (5Z,7E)-(1S,3R,20S)-20-methoxy-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 488.39 C31H52O4
LMST03020472 (20S)-1alpha,25-dihydroxy-20-methoxy-26,27-dimethylvitamin D3 (5Z,7E)-(1S,3R,20S)-20-methoxy-26,27-dimethyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 474.37 C30H50O4
LMST03020380 (20S)-1alpha,25-dihydroxy-20-methoxyvitamin D3 (5Z,7E)-(1S,3R,20S)-20-methoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 446.34 C28H46O4
LMST03020582 (20S)-1alpha,25-dihydroxy-20-phenyl-16,17-didehydro-21-norvitamin D3 (5Z,7E)-(1S,3R,20S)-20-phenyl-21-nor-9,10-seco-5,7,10(19),16-cholestatetraene-1,3,25-triol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 476.33 C32H44O3