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
LMST03020460 (22E)-1alpha,25-dihydroxy-26,27-dimethyl-22,23-didehydro-24a-homo-20-epivitamin D3 (5Z,7E,22E)-(1S,3R,20S)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol C30H48O3 456.360345
LMST03020461 (22Z)-1alpha,25-dihydroxy-26,27-dimethyl-22,23-didehydro-24a-homo-20-epivitamin D3 (5Z,7E,22Z)-(1S,3R,20S)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol C30H48O3 456.360345
LMST03020462 26,27-diethyl-1alpha,25-dihydroxy-20,21-didehydro-23-oxavitamin D3 (5Z,7E)-(1S,3R)-26,27-diethyl-23-oxa-9,10-seco-5,7,10(19),20-cholestatetraene-1,3,25-triol C30H48O4 472.355260
LMST03020463 1alpha,25-dihydroxy-24a,24b,24c-trihomovitamin D3 (5Z,7E)-(1S,3R)-24a,24b,24c-trihomo-9,10-seco-5,7,10(19)-cholestatrien-1,3,25-triol C30H50O3 458.375995
LMST03020464 1alpha,25-dihydroxy-26,27-dimethyl-24a-homovitamin D3 (5Z,7E)-(1S,3R)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatrien-1,3,25-triol C30H50O3 458.375995
LMST03020465 1alpha,25-dihydroxy-26,27-dimethyl-24a-homo-20-epivitamin D3 (5Z,7E)-(1S,3R,20S)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C30H50O3 458.375995
LMST03020466 26,27-diethyl-1alpha,25-dihydroxy-22-thiavitamin D3 (5Z,7E)-(1S,3R)-26,27-diethyl-9,10-seco-22-thia-5,7,10(19)-cholestatriene-1,3,25-triol C30H50O3S 490.348067
LMST03020467 26,27-diethyl-1alpha,25-dihydroxy-22-thia-20-epivitamin D3 (5Z,7E)-(1S,3R,20R)-26,27-diethyl-9,10-seco-22-thia-5,7,10(19)-cholestatriene-1,3,25-triol C30H50O3S 490.348067
LMST03020468 1alpha-hydroxy-2beta-(3-hydroxypropoxy)vitamin D3 (5Z,7E)-(1R,2R,3R)-2-(3-hydroxypropoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol C30H50O4 474.370910
LMST03020469 1alpha,25-dihydroxy-2beta-(3-hydroxypropyl)vitamin D3 (5Z,7E)-(1S,2R,3R)-2-(3-hydroxypropyl)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C30H50O4 474.370910
LMST03020470 26,27-diethyl-1alpha,25-dihydroxy-22-oxavitamin D3 (5Z,7E)-(1S,3R)-26,27-diethyl-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C30H50O4 474.370910
LMST03020471 26,27-diethyl-1alpha,25-dihydroxy-23-oxavitamin D3 (5Z,7E)-(1S,3R)-26,27-diethyl-23-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C30H50O4 474.370910
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 C30H50O4 474.370910
LMST03020473 1alpha,25-dihydroxy-26,27-dimethyl-24a,24b-dihomo-22-oxa-20-epivitamin D3 (5Z,7E)-(1S,3R,20R)-26,27-dimethyl-24a,24b-dihomo-22-oxa-9,10-seco-5,7,10(19)-cholestatrien-1,3,25-triol C30H50O4 474.370910
LMST03020474 (22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-24a-homo-20-epivitamin D3 (5Z,7E)-(1S,3R,20R,22R)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatriene-1,3,22,25-tetrol C30H50O4 474.370910
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 C29H48O4 460.355260
LMST03020476 (22S)-1alpha,22,25-trihydroxy-26,27-dimethyl-24a-homovitamin D3 (5Z,7E)-(1S,3R,22S)-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatriene-1,3,22,25-tetrol C30H50O4 474.370910
LMST03020477 1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 (5Z,7E)-(1R,2R,3R)-2-(3-hydroxypropoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C30H50O5 490.365825
LMST03020478 1beta,25-dihydroxy-2beta-(3-hydroxypropoxy)vitamin D3 (5Z,7E)-(1S,2R,3R)-2-(3-hydroxypropoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C30H50O5 490.365825
LMST03020479 1alpha-hydroxy-22-[3-(1-hydroxy-1-methylethyl)phenyl]-23,24,25,26,27-pentanorvitamin D3 (5Z,7E)-(1S,3R)-22-[3-(1-hydroxy-1-methylethyl)phenyl]-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol C31H44O3 464.329045
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 C31H46O3 466.344695
LMST03020481 1alpha,25-dihydroxy-(26,26)-(27,27)-diethanovitamin D3 (5Z,7E)-(1S,3R)-(26,26)-(27,27)-diethano-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C31H48O3 468.360345
LMST03020482 (22E,24E)-1alpha,25-dihydroxy-26,27-dimethyl-22,23,24,24a-tetradehydro-24a,24b-dihomovitamin D3 (5Z,7E,22E,24E)-(1S,3R)-26,27-dimethyl-24a,24b-dihomo-9,10-seco-5,7,10(19),22,24-cholestapentaene-1,3,25-triol C31H48O3 468.360345
LMST03020483 1alpha,25-dihydroxy-26,27-dimethyl-22,22,23,23-tetradehydro-24a,24b-dihomovitamin D3 (5Z,7E)-(1S,3R)-26,27-dimethyl-24a,24b-dihomo-9,10-seco-5,7,10(19)-cholestatrien-22-yne-1,3,25-triol C31H48O3 468.360345
LMST03020484 1alpha,25-dihydroxy-26,27-dimethyl-22,22,23,23-tetradehydro-24a,24b-dihomo-20-epivitamin D3 (5Z,7E)-(1S,3R,20R)-26,27-dimethyl-24a,24b-dihomo-9,10-seco-5,7,10(19)-cholestatrien-22-yne-1,3,25-triol C31H48O3 468.360345
LMST03020485 (22R)-1alpha,25-dihydroxy-22-methoxy-26,27-dimethyl-23,23,24,24-tetradehydro-24a-homovitamin D3 (5Z,7E)-(1S,3R,22R)-22-methoxy-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,25-triol C31H48O4 484.355260
LMST03020486 (22S)-1alpha,25-dihydroxy-22-methoxy-26,27-dimethyl-23,24-tetradehydro-24a-homo-20-epivitamin D3 (5Z,7E)-(1S,3R,20R,22S)-26,27-dimethyl-22-methoxy-24a-homo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,25-triol C31H48O4 484.355260
LMST03020487 (22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-20-epivitamin D3 (5Z,7E)-(1S,3R,20R,22S)-26,27-dimethyl-22-ethoxy-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,25-triol C31H48O4 484.355260
LMST03020488 (22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,23,24,24-tetradehydro-24a,24b-dihomovitamin D3 (5Z,7E)-(1S,3R,22R)-26,27-dimethyl-24a,24b-dihomo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,22,25-tetrol C31H48O4 484.355260
LMST03020489 (22S)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,23,24,24-tetradehydro-24a,24b-dihomovitamin D3 (5Z,7E)-(1S,3R,22S)-26,27-dimethyl-24a,24b-dihomo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,22,25-tetrol C31H48O4 484.355260
LMST03020490 (22S)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a,24b-dihomo-20-epivitamin D3 (5Z,7E)-(1S,3R,20R,22S)-26,27-dimethyl-24a,24b-dihomo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,22,25-tetrol C31H48O4 484.355260
LMST03020491 (22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a,24b-dihomo-20-epivitamin D3 (5Z,7E)-(1S,3R,20R,22R)-26,27-dimethyl-24a,24b-dihomo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,22,25-tetrol C31H48O4 484.355260
LMST03020492 1alpha,25-dihydroxy-22-oxavitamin D3 3-hemiglutarate (5Z,7E)-(1S,3R)-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol 3-hemiglutarate C31H48O7 532.340005
LMST03020493 (10E)-19-(3-carboxylpropyl)vitamin D3 (5Z,7E,10E)-(3S)-19-(3-carboxylpropyl)-9,10-seco-5,7,10(19)-cholestatrien-3-ol C31H50O3 470.375995
LMST03020494 (5E,10E)-19-(3-carboxylpropyl)vitamin D3 (5E,7E,10E)-(3S)-19-(3-carboxylpropyl)-9,10-seco-5,7,10(19)-cholestatrien-3-ol C31H50O3 470.375995
LMST03020495 26,27-diethyl-1alpha,25-dihydroxy-20,21-methano-23-oxavitamin D3 (5Z,7E)-(1S,3R)-26,27-diethyl-20,21-methano-23-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C31H50O4 486.370910
LMST03020496 1beta-butyl-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1S,3R)-1-butyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C31H52O3 472.391645
LMST03020497 1alpha-butyl-1beta,25-dihydroxyvitamin D3 (5Z,7E)-(1R,3R)-1-butyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C31H52O3 472.391645
LMST03020498 26,27-diethyl-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1S,3R)-26,27-diethyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C31H52O3 472.391645
LMST03020499 1alpha,25-dihydroxy-26,27-dimethyl-24a,24b-dihomovitamin D3 (5Z,7E)-(1S,3R)-26,27-dimethyl-24a,24b-dihomo-9,10-seco-5,7,10(19)-cholestatrien-1,3,25-triol C31H52O3 472.391645
LMST03020500 1alpha-hydroxy-2beta-(4-hydroxybutoxy)vitamin D3 (5Z,7E)-(1R,2R,3R)-2-(4-hydroxybutoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol C31H52O4 488.386560
LMST03020501 1alpha,25-dihydroxy-2beta-(4-hydroxybutyl)vitamin D3 (5Z,7E)-(1S,2R,3R)-2-(4-hydroxybutyl)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C31H52O4 488.386560
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 C31H52O4 488.386560
LMST03020503 26,27-diethyl-1alpha,25-dihydroxy-24a-homo-22-oxa-20-epivitamin D3 (5Z,7E)-(1S,3R,20R)-26,27-diethyl-24a-homo-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C31H52O4 488.386560
LMST03020504 (22S)-1alpha,22,25-trihydroxy-26,27-dimethyl-24a,24b-dihomovitamin D3 (5Z,7E)-(1S,3R,22S)-26,27-dimethyl-24a,24b-dihomo-9,10-seco-5,7,10(19)-cholestatriene-1,3,22,25-tetrol C31H52O4 488.386560
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 C31H52O4 488.386560
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 C31H52O4 488.386560
LMST03020507 (22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-24a,24b-dihomo-20-epivitamin D3 (5Z,7E)-(1S,3R,20R,22R)-26,27-dimethyl-24a,24b-dihomo-9,10-seco-5,7,10(19)-cholestatriene-1,3,22,25-tetrol C31H52O4 488.386560
LMST03020508 1alpha,25-dihydroxy-2beta-(4-hydroxybutoxy)vitamin D3 (5Z,7E)-(1R,2R,3R)-2-(4-hydroxybutoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C31H52O5 504.381475
LMST03020509 1alpha,25-dihydroxy-2beta-butoxyvitamin D3 (5Z,7E)-(1R,2R,3R)-2-butoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C31H52O4 488.386560