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
LMST03020560 1alpha,25-dihydroxy-2alpha-hydroxymethyl-19-nor-20-epivitamin D3 (7E)-(1R,2S,3R,20S)-2-hydroxymethyl-19-nor-9,10-seco-5,7-cholestadiene-1,3,25-triol C27H46O4 434.339610
LMST03020561 1alpha,25-dihydroxy-2beta-hydroxymethyl-19-nor-20-epivitamin D3 (7E)-(1R,2R,3R,20S)-2-hydroxymethyl-19-nor-9,10-seco-5,7-cholestadiene-1,3,25-triol C27H46O4 434.339610
LMST03020562 1alpha,25-dihydroxy-3-deoxy-19-norvitamin D3 (7E)-(1S)-19-nor-9,10-seco-5,7-cholestadiene-1,25-diol C26H44O2 388.334130
LMST03020563 1beta,25-dihydroxy-3-deoxy-19-norvitamin D3 (7E)-(1R)-19-nor-9,10-seco-5,7-cholestadiene-1,25-diol C26H44O2 388.334130
LMST03020564 25-dihydroxy-19-nor-3-epivitamin D3 (7E)-(3R)-19-nor-9,10-seco-5,7-cholestadiene-3,25-diol C26H44O2 388.334130
LMST03020565 25-dihydroxy-19-norvitamin D3 (7E)-(3S)-19-nor-9,10-seco-5,7-cholestadiene-3,25-diol C26H44O2 388.334130
LMST03020566 1alpha,25-dihydroxy-3-deoxy-19-nor-22-oxavitamin D3 (7E)-(1S)-19-nor-22-oxa-9,10-seco-5,7-cholestadiene-1,25-diol C25H42O3 390.313395
LMST03020567 1beta,25-dihydroxy-3-deoxy-19-nor-22-oxavitamin D3 (7E)-(1R)-19-nor-22-oxa-9,10-seco-5,7-cholestadiene-1,25-diol C25H42O3 390.313395
LMST03020568 25-dihydroxy-19-nor-22-oxa-3-epivitamin D3 (7E)-(3R)-19-nor-22-oxa-9,10-seco-5,7-cholestadiene-3,25-diol C25H42O3 390.313395
LMST03020569 25-dihydroxy-19-nor-22-oxavitamin D3 (7E)-(3S)-19-nor-22-oxa-9,10-seco-5,7-cholestadiene-3,25-diol C25H42O3 390.313395
LMST03020570 24alpha,25-dihydroxy-1alpha-hydroxymethyl-26,27-dimethyl-24a-homo-22-oxavitamin D3 (5Z,7E)-(1S,3S,24aS)-1-hydroxymethyl-26,27-dimethyl-24a-homo-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-3,24a,25-triol C30H50O5 490.365825
LMST03020571 24alpha,25-dihydroxy-1beta-hydroxymethyl-26,27-dimethyl-24a-homo-22-oxa-3-epivitamin D3 (5Z,7E)-(1R,3R,24aS)-1-hydroxymethyl-26,27-dimethyl-24a-homo-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-3,24a,25-triol C30H50O5 490.365825
LMST03020572 1alpha-(2-fluoroethyl)-25-hydroxy-26,27-dimethyl-24a-homo-22-oxavitamin D3 (5Z,7E)-(1R,3S)-1-(2-fluoroethyl)-26,27-dimethyl-24a-homo-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol C31H51O3F 490.382223
LMST03020573 1beta-(2-fluoroethyl)-25-hydroxy-26,27-dimethyl-24a-homo-22-oxa-3-epivitamin D3 (5Z,7E)-(1S,3R)-1-(2-fluoroethyl)-26,27-dimethyl-24a-homo-22-oxa-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol C31H51O3F 490.382223
LMST03020574 25-hydroxy-1alpha-hydroxymethyl-26,27-dimethyl-24a-homo-22,23,24,24a-tetradehydrovitamin D3 (5Z,7E,22E,24E)-(1S,3S)-1-hydroxymethyl-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19),22,24-cholestapentaene-3,25-diol C31H48O3 468.360345
LMST03020575 25-hydroxy-1beta-hydroxymethyl-26,27-dimethyl-24a-homo-22,23,24,24a-tetradehydro-3-epivitamin D3 (5Z,7E,22E,24E)-(1R,3R)-1-hydroxymethyl-26,27-dimethyl-24a-homo-9,10-seco-5,7,10(19),22,24-cholestapentaene-3,25-diol C31H48O3 468.360345
LMST03020576 25-hydroxy-1alpha-hydroxymethyl-23,23,24,24-tetradehydrovitamin D3 (5Z,7E)-(1S,3S)-1-hydroxymethyl-9,10-seco-5,7,10(19)-cholestatrien-23-yne-3,25-diol C28H42O3 426.313395
LMST03020577 25-hydroxy-1beta-hydroxymethyl-23,23,24,24-tetradehydro-3-epivitamin D3 (5Z,7E)-(1R,3R)-1-hydroxymethyl-9,10-seco-5,7,10(19)-cholestatrien-23-yne-3,25-diol C28H42O3 426.313395
LMST03020578 25-hydroxy-1alpha-hydroxymethyl-16,17-didehydrovitamin D3 (5Z,7E)-(1S,3S)-1-hydroxymethyl-9,10-seco-5,7,10(19),16-cholestatetraene-3,25-diol C28H44O3 428.329045
LMST03020579 25-hydroxy-1beta-hydroxymethyl-16,17-didehydro-3-epivitamin D3 (5Z,7E)-(1R,3R)-1-hydroxymethyl-9,10-seco-5,7,10(19),16-cholestatetraene-3,25-diol C28H44O3 428.329045
LMST03020580 25-hydroxy-1alpha-hydroxymethyl-26,27-dimethyl-16,17-didehydrovitamin D3 (5Z,7E)-(1S,3S)-1-hydroxymethyl-26,27-dimethyl-9,10-seco-5,7,10(19),16-cholestatetraene-3,25-diol C30H48O3 456.360345
LMST03020581 25-hydroxy-1beta-hydroxymethyl-26,27-dimethyl-16,17-didehydro-3-epivitamin D3 (5Z,7E)-(1R,3R)-1-hydroxymethyl-26,27-dimethyl-9,10-seco-5,7,10(19),16-cholestatetraene-3,25-diol C30H48O3 456.360345
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 C32H44O3 476.329045
LMST03020583 (20S)-20-cyclopropyl-1alpha,25-dihydroxy-16,17-didehydro-21-norvitamin D3 (5Z,7E,)-(1S,3R,20S)-20-cyclopropyl-21-nor-9,10-seco-5,7,10(19),16-cholestatetraene-1,3,25-triol C29H44O3 440.329045
LMST03020584 (20S)-20-butyl-1alpha,25-dihydroxy-16,17-didehydro-21-norvitamin D3 (5Z,7E,)-(1S,3R,20S)-20-butyl-21-nor-9,10-seco-5,7,10(19),16-cholestatetraene-1,3,25-triol C30H48O3 456.360345
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 C32H44O3 476.329045
LMST03020586 1alpha-hydroxy-18-(4-hydroxy-4-methylpentyloxy)-23,24,25,26,27-pentanorvitamin D3 (5Z,7E)-(1S,3R)-18-(4-hydroxy-4-methylpentyloxy)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol C28H46O4 446.339610
LMST03020587 1alpha-hydroxy-18-(4-hydroxy-4-ethylhexyloxy)-23,24,25,26,27-pentanorvitamin D3 (5Z,7E)-(1S,3R)-18-(4-hydroxy-4-ethylhexyloxy)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol C30H50O4 474.370910
LMST03020588 1alpha-hydroxy-18-(5-hydroxy-5-methylhexyloxy)-23,24,25,26,27-pentanorvitamin D3 (5Z,7E)-(1S,3R)-18-(5-hydroxy-5-methylhexyloxy)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol C29H48O4 460.355260
LMST03020589 1alpha-hydroxy-18-[m-(1-hydroxy-1-methylethyl)-benzyloxy]-23,24,25,26,27-pentanorvitamin D3 (5Z,7E)-(1S,3R)-18-[m-(1-hydroxy-1-methylethyl)-benzyloxy]-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol C32H46O4 494.339610
LMST03020590 1alpha-hydroxy-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24,25,26,27-pentanorvitamin D3 (5Z,7E)-(1S,3R)-18-[m-(1-hydroxy-1-ethylpropyl)-benzyloxy]-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol C34H50O4 522.370910
LMST03020591 1alpha-hydroxy-18-(4-hydroxy-4-methyl-2-pentynyloxy)-23,24,25,26,27-pentanorvitamin D3 (5Z,7E)-(1S,3R)-18-(4-hydroxy-4-methyl-2-pentynyloxy)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol C28H42O4 442.308310
LMST03020592 1alpha-hydroxy-18-(4-hydroxy-4-ethyl-2-hexynyloxy)-23,24,25,26,27-pentanorvitamin D3 (5Z,7E)-(1S,3R)-18-(4-hydroxy-4-ethyl-2-hexynyloxy)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol C30H46O4 470.339610
LMST03020593 1alpha-hydroxy-18-(5-hydroxy-5-methyl-2-hexynyloxy)-23,24,25,26,27-pentanorvitamin D3 (5Z,7E)-(1S,3R)-18-(5-hydroxy-5-methyl-2-hexynyloxy)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol C29H44O4 456.323960
LMST03020594 1alpha-hydroxy-18-(5-hydroxy-5-methyl-3-hexynyloxy)-23,24,25,26,27-pentanorvitamin D3 (5Z,7E)-(1S,3R)-18-(5-hydroxy-5-methyl-3-hexynyloxy)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol C29H44O4 456.323960
LMST03020595 (24E)-1alpha,25-dihydroxy-24,24a-didehydro-24a,24b-dihomovitamin D3 (5Z,7E,24E)-(1S,3R)-24a,24b-dihomo-9,10-seco-5,7,10(19),24-cholestatetraene-1,3,25-triol C29H46O3 442.344695
LMST03020596 (24aE)-1alpha,25-dihydroxy-24a,24b-didehydro-24a,24b-dihomovitamin D3 (5Z,7E,24aE)-(1S,3R)-24a,24b-dihomo-9,10-seco-5,7,10(19),24a-cholestatetraene-1,3,25-triol C29H46O3 442.344695
LMST03020599 (23S)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone (5Z,7E)-(1S,3R,23S)-1,3-dihydroxy-9,10-seco-5,7,10(19),25(27)-cholestatetraeno-26,23-lactone C27H38O4 426.277010
LMST03020600 (23R)-1alpha-hydroxy-25,27-didehydrovitamin D3 26,23-lactone (5Z,7E)-(1S,3R,23R)-1,3-dihydroxy-9,10-seco-5,7,10(19),25(27)-cholestatetraeno-26,23-lactone C27H38O4 426.277010
LMST03020601 2beta-chloro-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1R,2R,3R)-2-chloro-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C27H43O3Cl 450.290073
LMST03020602 2beta-fluoro-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1R,2R,3R)-2-fluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C27H43O3F 434.319623
LMST03020603 2beta-methoxy-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1R,2R,3R)-2-methoxy-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O4 446.339610
LMST03020604 1alpha-hydroxy-20-oxo-19,22,23,24,25,26,27-heptanorvitamin D3 (7E)-(1R,3R)-1,3-dihydroxy-19-nor-9,10-seco-5,7-pregnadien-20-one C20H30O3 318.219495
LMST03020050 (5E)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide (5E,7E)-(1R,3S)-1,25-dihydroxy-9,10-seco-3-thia-5,7,10(19)-cholestatriene 3-oxide C26H42O3S 434.285467
LMST03020052 (5Z)-(3S)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide (5Z,7E)-(1R,3S)-1,25-dihydroxy-9,10-seco-3-thia-5,7,10(19)-cholestatrien 3-oxide C26H42O3S 434.285467
LMST03020051 (5Z)-1alpha,25-dihydroxy-3-deoxy-3-thiavitamin D3 3-oxide (5Z,7E)-(1R,3R)-1,25-dihydroxy-9,10-seco-3-thia-5,7,10(19)-cholestatriene 3-oxide C26H42O3S 434.285467
LMST03020608 1,25-Dihydroxy-24-oxo-16-ene-vitamin D3 (5Z,7E,16Z)-(1S,3R)-24-oxo-9,10-seco-5,7,10(19),16-cholestatetraen-1,3,25-triol C27H40O4 428.292660
LMST03020609 1alpha,25-Dihydroxy-16-ene-19-nor-24-oxovitamin D3 (5Z,7E,16Z)-(1R,3R)-19-nor-24-oxo-9,10-seco-5,7,16-cholestatrien-1,3,25-triol C26H40O4 416.292660
LMST03020610 Vitamin D3 glucosiduronate (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatrien-3-glucosiduronate C33H52O7 560.371305
LMST03020611 1,25-Dihydroxyvitamin D3 3-glycoside (5Z,7E)-(1S,3R)-1,25-dihydroxy-9,10-seco-5,7,10(19)-cholestatrien-3-glycoside C33H54O8 578.381870