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
LMST03020408 1alpha,25-dihydroxy-26,27-ethanovitamin D3 (5Z,7E)-(1S,3R)-26,27-ethano-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C29H46O3 442.344695
LMST03020409 18-acetoxy-1alpha-hydroxyvitamin D3 (5Z,7E)-(1S,3R)-18-acetoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol C29H46O4 458.339610
LMST03020410 18-acetoxy-25-hydroxyvitamin D3 (5Z,7E)-(3S)-18-acetoxy-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol C29H46O4 458.339610
LMST03020411 1alpha,25-dihydroxy-11alpha-[(1R)-oxiranyl]vitamin D3 (5Z,7E)-(1S,3R,11S)-11-[(1R)-oxiranyl]-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C29H46O4 458.339610
LMST03020412 1alpha,25-dihydroxy-11alpha-[(1S)-oxiranyl]vitamin D3 (5Z,7E)-(1S,3R,11S)-11-[(1S)-oxiranyl]-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C29H46O4 458.339610
LMST03020413 1alpha,25-dihydroxy-26,27-dimethyl-20,21-methano-23-oxavitamin D3 (5Z,7E)-(1S,3R)-26,27-dimethyl-20,21-methano-23-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C29H46O4 458.339610
LMST03020414 18-acetoxy-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1S,3R)-18-acetoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C29H46O5 474.334525
LMST03020415 1alpha-hydroxy-26,27-dimethylvitamin D3 (5Z,7E)-(1S,3R)-26,27-dimethyl-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol C29H48O2 428.365430
LMST03020416 25-hydroxy-26,27-dimethylvitamin D3 (5Z,7E)-(3S)-26,27-dimethyl-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol C29H48O2 428.365430
LMST03020417 (6S)-6,19-ethano-25-hydroxy-6,19-dihydrovitamin D3 (7E)-(3S,6S)-6,19-ethano-9,10-seco-5(10),7-cholestadiene-3,25-diol C29H48O2 428.365430
LMST03020418 (6R)-6,19-ethano-25-hydroxy-6,19-dihydrovitamin D3 (7E)-(3S,6R)-6,19-ethano-9,10-seco-5(10),7-cholestadiene-3,25-diol C29H48O2 428.365430
LMST03020419 11alpha-ethyl-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1S,3R,11S)-11-ethyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C29H48O3 444.360345
LMST03020420 1alpha,25-dihydroxy-26,27-dimethylvitamin D3 (5Z,7E)-(1S,3R)-26,27-dimethyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C29H48O3 444.360345
LMST03020421 1alpha,25-dihydroxy-24a,24b-dihomovitamin D3 (5Z,7E)-(1S,3R)-24a,24b-dihomo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C29H48O3 444.360345
LMST03020422 1alpha,25-dihydroxy-24a,24b-dihomo-20-epivitamin D3 (5Z,7E)-(1S,3R,20S)-24a,24b-dihomo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C29H48O3 444.360345
LMST03020423 1alpha,25-dihydroxy-24a-homo-26,27-dimethyl-22-thiavitamin D3 (5Z,7E)-(1S,3R)-26,27-dimethyl-24a-homo-9,10-seco-22-thia-5,7,10(19)-cholestatriene-1,3,25-triol C29H48O3S 476.332417
LMST03020424 1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-thia-20-epivitamin D3 (5Z,7E)-(1S,3R,20R)-26,27-dimethyl-24a-homo-9,10-seco-22-thia-5,7,10(19)-cholestatriene-1,3,25-triol C29H48O3S 476.332417
LMST03020425 1alpha,25-dihydroxy-24a,24b,24c-trihomo-22-thiavitamin D3 (5Z,7E)-(1S,3R)-24a,24b,24c-trihomo-9,10-seco-22-thia-5,7,10(19)-cholestatriene-1,3,25-triol C29H48O3S 476.332417
LMST03020426 1alpha,25-dihydroxy-24a,24b,24c-trihomo-22-thia-20-epivitamin D3 (5Z,7E)-(1S,3R,20R)-24a,24b,24c-trihomo-9,10-seco-22-thia-5,7,10(19)-cholestatriene-1,3,25-triol C29H48O3S 476.332417
LMST03020427 1alpha-hydroxy-2beta-(2-hydroxyethoxy)vitamin D3 (5Z,7E)-(1R,2R,3R)-2-(2-hydroxyethoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol C29H48O4 460.355260
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 C29H48O4 460.355260
LMST03020429 1alpha,25-dihydroxy-24a,24b,24c-trihomo-22-oxavitamin D3 (5Z,7E)-(1S,3R)-24a,24b,24c-trihomo-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C29H48O4 460.355260
LMST03020430 1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxavitamin D3 (5Z,7E)-(1S,3R)-26,27-dimethyl-24a-homo-22-oxa-9,10-seco-5,7,10(19)-cholestatrien-1,3,25-triol C29H48O4 460.355260
LMST03020431 1alpha,25-dihydroxy-20,26,27-trimethyl-23-oxavitamin D3 (5Z,7E)-(1S,3R)-20,26,27-trimethyl-23-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C29H48O4 460.355260
LMST03020432 1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-22-oxa-20-epivitamin D3 (5Z,7E)-(1S,3R,20R)-26,27-dimethyl-24a-homo-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C29H48O4 460.355260
LMST03020433 1alpha,25-dihydroxy-11alpha-(2-hydroxyethyl)vitamin D3 (5Z,7E)-(1S,3R,11S)-11-(2-hydroxyethyl)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C29H48O4 460.355260
LMST03020434 1alpha,25-dihydroxy-11beta-(2-hydroxyethyl)vitamin D3 (5Z,7E)-(1S,3R,11R)-11-(2-hydroxyethyl)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C29H48O4 460.355260
LMST03020435 (22R)-1alpha,22,25-trihydroxy-24a,24b-dihomo-20-epivitamin D3 (5Z,7E)-(1S,3R,20R,22R)-24a,24b-dihomo-9,10-seco-5,7,10(19)-cholestatriene-1,3,22,25-tetrol C29H48O4 460.355260
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 C29H48O4 460.355260
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 C29H48O4 460.355260
LMST03020438 (22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-20-epivitamin D3 (5Z,7E)-(1S,3R,20R,22R)-26,27-dimethyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,22,25-tetrol C29H48O4 460.355260
LMST03020439 (22S)-1alpha,22,25-trihydroxy-26,27-dimethylvitamin D3 (5Z,7E)-(1S,3R,22S)-26,27-dimethyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,22,25-tetrol C29H48O4 460.355260
LMST03020440 1alpha,25-dihydroxy-2beta-(2-hydroxyethoxy)vitamin D3 (5Z,7E)-(1R,2R,3R)-2-(2-hydroxyethoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C29H48O5 476.350175
LMST03020441 toxisterol3 B1 (5E,7E)-(3S,10R)-10-ethoxy-9,10-seco-5,7-cholestadien-3-ol C29H50O2 430.381080
LMST03020442 toxisterol3 B2 (5E,7E)-(3S,10S)-10-ethoxy-9,10-seco-5,7-cholestadien-3-ol C29H50O2 430.381080
LMST03020443 Toxisterol3 B3 (5Z,7E)-(3S,10R)-10-ethoxy-9,10-seco-5,7-cholestadien-3-ol C29H50O2 430.381080
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 C30H44O3 452.329045
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 C30H44O3 452.329045
LMST03020446 1alpha,25-dihydroxy-26,27-dimethyl-20,21,22,22,23,23-hexadehydro-24a-homovitamin D3 (5Z,7E)-(1S,3R)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19),20-cholestatetraen-22-yne-1,3,25-triol C30H44O3 452.329045
LMST03020447 (22E,24E,24bE)-1alpha,25-dihydroxy-22,23,24,24a,24b,24c-hexadehydro-24a,24b,24c-trihomovitamin D3 (5Z,7E,22E,24E,24bE)-(1S,3R)-24a,24b,24c-trihomo-9,10-seco-5,7,10(19),22,24,24b-cholestahexaene-1,3,25-triol C30H44O3 452.329045
LMST03020448 1alpha,25-dihydroxy-11-(3-hydroxy-1-propynyl)-9,11-didehydrovitamin D3 (5Z,7E)-(1S,3R)-11-(3-hydroxy-1-propynyl)-9,10-seco-5,7,9(11),10(19)-cholestatetraene-1,3,25-triol C30H44O4 468.323960
LMST03020449 (22E,24E)-1alpha,25-dihydroxy-26,27-dimethyl-22,23,24,24a-tetradehydro-24a-homovitamin D3 (5Z,7E,22E,24E)-(1S,3R)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19),22,24-cholestapentaene-1,3,25-triol C30H46O3 454.344695
LMST03020450 1alpha,25-dihydroxy-26,27-dimethyl-22,22,23,23-tetradehydro-24a-homovitamin D3 (5Z,7E)-(1S,3R)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatrien-22-yne-1,3,25-triol C30H46O3 454.344695
LMST03020451 1alpha,25-dihydroxy-26,27-dimethyl-22,22,23,23-tetradehydro-24a-homo-20-epivitamin D3 (5Z,7E)-(1S,3R,20R)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatrien-22-yne-1,3,25-triol C30H46O3 454.344695
LMST03020452 (22R)-1alpha,25-dihydroxy-22-methoxy-26,27-dimethyl-23,23,24,24-tetradehydrovitamin D3 (5Z,7E)-(1S,3R,22R)-22-methoxy-26,27-dimethyl-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,25-triol C30H46O4 470.339610
LMST03020453 (22S)-1alpha,25-dihydroxy-22-methoxy-26,27-dimethyl-23,24-tetradehydro-20-epivitamin D3 (5Z,7E)-(1S,3R,20R,22S)-26,27-dimethyl-22-methoxy-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,25-triol C30H46O4 470.339610
LMST03020454 (22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a-homo-20-epivitamin D3 (5Z,7E)-(1S,3R,20R,22R)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,22,25-tetrol C30H46O4 470.339610
LMST03020455 (22S)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,23,24,24-tetradehydro-24a-homovitamin D3 (5Z,7E)-(1S,3R,22S)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,22,25-tetrol C30H46O4 470.339610
LMST03020456 (22S)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a-homo-20-epivitamin D3 (5Z,7E)-(1S,3R,20R,22S)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,22,25-tetrol C30H46O4 470.339610
LMST03020457 24,24-difluoro-1alpha,25-dihydroxy-26,27-dimethyl-24a-homovitamin D3 (5Z,7E)-(1S,3R)-24,24-difluoro-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C30H48O3F2 494.357151