Structure Database (LMSD)

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LMSD: Lipid classification search results

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Secosteroids [ST03]

LM_ID Common Name Systematic Name Species Shorthand Formula Mass
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
LMST03020510 1alpha-hydroxy-23-[3-(1-hydroxy-1-methylethyl)phenyl]-22,22,23,23-tetradehydro-24,25,26,27-tetranorvitamin D3 (5Z,7E)-(1S,3R)-23-[3-(1-hydroxy-1-methylethyl)phenyl]-24-nor-9,10-seco-5,7,10(19)-cholatrien-22-yne-1,3-diol C32H42O3 474.313395
LMST03020511 11-(3-acetoxy-1-propynyl)-1alpha,25-dihydroxy-9,11-didehydrovitamin D3 (5Z,7E)-(1S,3R)-11-(3-acetoxy-1-propynyl)-9,10-seco-5,7,9(11),10(19)-cholestatetraene-1,3,25-triol C32H46O5 510.334525
LMST03020512 (22E,24E,24bE)-1alpha,25-dihydroxy-26,27-dimethyl-22,23,24,24a,24b,24c-hexadehydro-24a,24b,24c-trihomovitamin D3 (5Z,7E,22E,24E,24bE)-(1S,3R)-26,27-dimethyl-24a,24b,24c-trihomo-9,10-seco-5,7,10(19),22,24,24b-cholestahexaene-1,3,25-triol C32H48O3 480.360345
LMST03020513 (22E,24E)-1alpha,25-dihydroxy-26,27-diethyl-22,23,24,24a-tetradehydro-24a-homovitamin D3 (5Z,7E,22E,24E)-(1S,3R)-26,27-diethyl-24a-homo-9,10-seco-5,7,10(19),22,24-cholestapentaene-1,3,25-triol C32H50O3 482.375995
LMST03020514 1alpha,25-dihydroxy-26,27-dimethyl-22,22,23,23-tetradehydro-24a,24b,24c-trihomo-20-epivitamin D3 (5Z,7E)-(1S,3R,20R)-26,27-dimethyl-24a,24b,24c-trihomo-9,10-seco-5,7,10(19)-cholestatrien-22-yne-1,3,25-triol C32H50O3 482.375995
LMST03020515 (22S)-1alpha,25-dihydroxy-22-ethoxy-26,27-dimethyl-23,24-tetradehydro-24a-homo-20-epivitamin D3 (5Z,7E)-(1S,3R,20R,22S)-26,27-dimethyl-22-ethoxy-24a-homo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,25-triol C32H50O4 498.370910
LMST03020516 (22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a,24b,24c-trihomo-20-epivitamin D3 (5Z,7E)-(1S,3R,20R,22R)-26,27-dimethyl-24a,24b,24c-trihomo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,22,25-tetrol C32H50O4 498.370910
LMST03020517 (22R)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,23,24,24-tetradehydro-24a,24b,24c-trihomovitamin D3 (5Z,7E)-(1S,3R,22R)-26,27-dimethyl-24a,24b,24c-trihomo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,22,25-tetrol C32H50O4 498.370910
LMST03020518 (22S)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,24-tetradehydro-24a,24b,24c-trihomo-20-epivitamin D3 (5Z,7E)-(1S,3R,20R,22S)-26,27-dimethyl-24a,24b,24c-trihomo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,22,25-tetrol C32H50O4 498.370910
LMST03020519 (22S)-1alpha,22,25-trihydroxy-26,27-dimethyl-23,23,24,24-tetradehydro-24a,24b,24c-trihomovitamin D3 (5Z,7E)-(1S,3R,22S)-26,27-dimethyl-24a,24b,24c-trihomo-9,10-seco-5,7,10(19)-cholestatrien-23-yne-1,3,22,25-tetrol C32H50O4 498.370910
LMST03020520 1alpha,25-dihydroxy-2beta-pentylvitamin D3 (5Z,7E)-(1S,2R,3R)-2-pentyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C32H54O3 486.407295
LMST03020521 1alpha,25-dihydroxy-26,27-diethyl-24a-homovitamin D3 (5Z,7E)-(1S,3R)-26,27-diethyl-24a-homo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C32H54O3 486.407295
LMST03020522 1alpha-hydroxy-2beta-(5-hydroxypentoxy)vitamin D3 (5Z,7E)-(1R,2R,3R)-2-(5-hydroxypentoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol C32H54O4 502.402210
LMST03020523 1alpha,25-dihydroxy-2beta-(5-hydroxypentyl)vitamin D3 (5Z,7E)-(1S,2R,3R)-2-(5-hydroxypentyl)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C32H54O4 502.402210
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 C32H54O4 502.402210
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 C32H54O4 502.402210
LMST03020526 26,27-diethyl-1alpha,25-dihydroxy-24a,24b-dihomo-23-oxa-20-epivitamin D3 (5Z,7E)-(1S,3R,20R)-26,27-diethyl-24a,24b-dihomo-23-oxa-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C32H54O4 502.402210
LMST03020527 1alpha,25-dihydroxy-2beta-(5-hydroxypentoxy)vitamin D3 (5Z,7E)-(1R,2R,3R)-2-(5-hydroxypentoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C32H54O5 518.397125
LMST03020528 1alpha,25-dihydroxy-11alpha-phenylvitamin D3 (5Z,7E)-(1S,3R,11S)-11-phenyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C33H48O3 492.360345
LMST03020529 1alpha,25-dihydroxy-11beta-phenylvitamin D3 (5Z,7E)-(1S,3R,11R)-11-phenyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C33H48O3 492.360345
LMST05010020 (23S)-23,25-dihydroxy-24-oxovitamin D3 23-(beta-glucuronide) (5Z,7E)-(3S,23S)-24-oxo-9,10-seco-5,7,10(19)-cholestatriene-3,23,25-triol 23-D-glucuronide ST 27:3;O4;GlcA C33H50O10 606.340400
LMST03020531 1alpha,25-dihydroxy-26,27-dipropylvitamin D3 (5Z,7E)-(1S,3R)-26,27-dipropyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C33H56O3 500.422945
LMST03020532 1alpha,25-dihydroxy-26,26, 26,27,27,27-hexamethylvitamin D3 (5Z,7E)-(1S,3R)-26,26, 26,27,27,27-hexamethyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C33H56O3 500.422945
LMST03020533 26,27-diethyl-1alpha,25-dihydroxy-24a,24b-dihomovitamin D3 (5Z,7E)-(1S,3R)-26,27-diethyl-24a,24b-dihomo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C33H56O3 500.422945
LMST03020534 1alpha,25-dihydroxy-2beta-(6-hydroxyhexyl)vitamin D3 (5Z,7E)-(1S,2R,3R)-2-(6-hydroxyhexyl)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C33H56O4 516.417860
LMST03020535 1alpha,25-dihydroxy-11-(4-hydroxymethylphenyl)-9,11-didehydrovitamin D3 (5Z,7E)-(1S,3R)-11-(4-hydroxymethylphenyl)-9,10-seco-5,7,9(11),10(19)-cholestatetraene-1,3,25-triol C34H48O4 520.355260
LMST03020536 (6R)-vitamin D3 6,19-(4-phenyl-1,2,4-triazoline-3,5-dione) adduct (7E)-(3S,6R)-9,10-seco-5,7,10(19)-cholestatrien-3-ol 6,19-(4-phenyl-1,2,4-triazoline-3,5-dione) adduct C35H49N3O3 559.377392
LMST03020537 (6S)-vitamin D3 6,19-(4-phenyl-1,2,4-triazoline-3,5-dione) adduct (7E)-(3S,6S)-9,10-seco-5,7,10(19)-cholestatrien-3-ol 6,19-(4-phenyl-1,2,4-triazoline-3,5-dionne) adduct C35H49N3O3 559.377392
LMST03020538 11alpha-(4-dimethylaminophenyl)-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1S,3R,11S)-11-(4-dimethylaminophenyl)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C35H53NO3 535.402544
LMST03020539 11-(4-acetoxymethylphenyl)-1alpha,25-dihydroxy-9,11-didehydrovitamin D3 (5Z,7E)-(1S,3R)-11-(4-acetoxymethylphenyl)-9,10-seco-5,7,9(11),10(19)-cholestatetraene-1,3,25-triol C36H50O5 562.365825
LMST03020541 (6R)-vitamin D3 6,19-[4-{2-(6,7-dimethoxy-4-methyl-3-oxo-3,4-dihydroquinoxalinyl)ethyl}-1,2,4-triazoline-3,5-dione] adduct (7E)-(3S,6R)-9,10-seco-5,7,10(19)-cholestatrien-3-ol 6,19-[4-{2-(6,7-dimethoxy-4-methyl-3-oxo-3,4-dihydroquinoxalinyl)ethyl}-1,2,4-triazoline-3,5-dione] adduct C42H59N5O6 729.446535
LMST03020542 (6S)-vitamin D3 6,19-[4-{2-(6,7-dimethoxy-4-methyl-3-oxo-3,4-dihydroquinoxalinyl)ethyl}-1,2,4-triazoline-3,5-dione] adduct (7E)-(3S,6S)-9,10-seco-5,7,10(19)-cholestatrien-3-ol 6,19-[4-{2-(6,7-dimethoxy-4-methyl-3-oxo-3,4-dihydroquinoxalinyl)ethyl}-1,2,4-triazoline-3,5-dione] adduct C42H59N5O6 729.446535
LMST03020543 1alpha,25-dihydroxy-25,25-diphenyl-26,27-dinorvitamin D3 (5Z,7E)-(1S,3R)-25,25-diphenyl-26,27-dinor-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C37H48O3 540.360345
LMST03020544 1alpha,25-dihydroxy-26,27-dimethyl-22,23-didehydro-24a,24b-dihomo-19-norvitamin D3 (7E,22E)-(1R,3R)-26,27-dimethyl-24a,24b-dihomo-19-nor-9,10-seco-5,7,22-cholestatriene-1,3,25-triol C30H50O3 458.375995
LMST03020545 1alpha,25-dihydroxy-26,26,26,27,27,27-hexafluoro-16,17,23,23,24,24-hexadehydro-19-norvitamin D3 (7E)-(1R,3R)-26,26,26,27,27,27-hexafluoro-19-nor-9,10-seco-5,7,16-cholestatrien-23-yne-1,3,25-triol C26H32O3F6 506.225563
LMST03020546 1alpha,25-dihydroxy-19-nor-22-oxavitamin D3 (7E)-(1R,3R)-19-nor-22-oxa-9,10-seco-5,7-cholestadiene-1,3,25-triol C25H42O4 406.308310
LMST03020547 1alpha,2alpha,25-trihydroxy-19-norvitamin D3 (7E)-(1R,2S,3R)-19-nor-9,10-seco-5,7-cholestadiene-1,2,3,25-tetrol C26H44O4 420.323960
LMST03020548 1alpha,2beta,25-trihydroxy-19-norvitamin D3 (7E)-(1R,2R,3R)-19-nor-9,10-seco-5,7-cholestadiene-1,2,3,25-tetrol C26H44O4 420.323960
LMST03020549 1alpha,25-dihydroxy-2alpha-(3-hydroxypropoxy)-19-norvitamin D3 (7E)-(1R,2S,3R)-2-(3-hydroxypropoxy)-19-nor-9,10-seco-5,7-cholestadiene-1,3,25-triol C29H50O5 478.365825
LMST03020550 1alpha,25-dihydroxy-2beta-(3-hydroxypropoxy)-19-norvitamin D3 (7E)-(1R,2R,3R)-2-(3-hydroxypropoxy)-19-nor-9,10-seco-5,7-cholestadiene-1,3,25-triol C29H50O5 478.365825
LMST03020551 2alpha-(benzyloxy)-1alpha,25-dihydroxy-19-norvitamin D3 (7E)-(1R,2S,3R)-2-(benzyloxy)-19-nor-9,10-seco-5,7-cholestadiene-1,3,25-triol C33H50O4 510.370910