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
LMST03020259 1alpha,25-dihydroxy-3-epivitamin D3 (5Z,7E)-(1S,3S)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C27H44O3 416.329045
LMST03020234 (5E)-1alpha-hydroxy-3-epivitamin D3 (5E,7E)-(1S,3S)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol C27H44O2 400.334130
LMST03020232 1alpha-hydroxy-3-epivitamin D3 (5Z,7E)-(1S,3S)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol C27H44O2 400.334130
LMST03020217 1alpha-hydroxy-3-deoxyvitamin D3 (5Z,7E)-(1S)-9,10-seco-5,7,10(19)-cholestatrien-1-ol C27H44O 384.339215
LMST03020363 1alpha,25-dihydroxy-11alpha-methylvitamin D3 (5Z,7E)-(1S,3R,11S)-11-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O3 430.344695
LMST03020364 1alpha,25-dihydroxy-11beta-methylvitamin D3 (5Z,7E)-(1S,3R,11R)-11-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O3 430.344695
LMST03020334 (10E)-19-methylvitamin D3 (5Z,7E,10E)-(3S)-19-methyl-9,10-seco-5,7,10(19)-cholestatrien-3-ol C28H46O 398.354865
LMST03020335 (5E,10E)-19-methylvitamin D3 (5E,7E,10E)-(3S)-19-methyl-9,10-seco-5,7,10(19)-cholestatrien-3-ol C28H46O 398.354865
LMST03020351 2alpha-methyl-1beta,25-dihydroxyvitamin D3 (5Z,7E)-(1R,2S,3R)-2-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O3 430.344695
LMST03020359 2alpha-methyl-20-epi-1beta,25-dihydroxyvitamin D3 (5Z,7E)-(1R,2S,3R,20S)-2-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O3 430.344695
LMST03020352 2beta-methyl-1beta,25-dihydroxyvitamin D3 (5Z,7E)-(1R,2R,3R)-2-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O3 430.344695
LMST03020360 2beta-methyl-20-epi-1beta,25-dihydroxyvitamin D3 (5Z,7E)-(1R,2R,3R,20S)-2-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O3 430.344695
LMST03020353 2alpha-methyl-3-epi-1beta,25-dihydroxyvitamin D3 (5Z,7E)-(1R,2S,3S)-2-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O3 430.344695
LMST03020361 2alpha-methyl-3-epi-20-epi-1beta,25-dihydroxyvitamin D3 (5Z,7E)-(1R,2S,3S,20S)-2-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O3 430.344695
LMST03020354 2beta-methyl-3-epi-1beta,25-dihydroxyvitamin D3 (5Z,7E)-(1R,2R,3S)-2-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O3 430.344695
LMST03020362 2beta-methyl-3-epi-20-epi-1beta,25-dihydroxyvitamin D3 (5Z,7E)-(1R,2R,3S,20S)-2-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O3 430.344695
LMST03020540 2alpha-methyl-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1S,2S,3R)-2-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O3 430.344695
LMST03020355 2alpha-methyl-20-epi-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1S,2S,3R,20S)-2-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O3 430.344695
LMST03020348 2beta-methyl-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1S,2R,3R)-2-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O3 430.344695
LMST03020356 2beta-methyl-20-epi-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1S,2R,3R,20S)-2-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O3 430.344695
LMST03020349 2alpha-methyl-3-epi-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1S,2S,3S)-2-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O3 430.344695
LMST03020357 2alpha-methyl-3-epi-20-epi-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1S,2S,3S,20S)-2-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O3 430.344695
LMST03020350 2beta-methyl-3-epi-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1S,2R,3S)-2-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O3 430.344695
LMST03020358 2beta-methyl-3-epi-20-epi-1alpha,25-dihydroxyvitamin D3 (5Z,7E)-(1S,2R,3S,20S)-2-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O3 430.344695
LMST03020240 2beta-hydroxyvitamin D3 (5Z,7E)-(2S,3R)-9,10-seco-5,7,10(19)-cholestatriene-2,3-diol C27H44O2 400.334130
LMST03020239 2alpha-hydroxyvitamin D3 (5Z,7E)-(2R,3R)-9,10-seco-5,7,10(19)-cholestatriene-2,3-diol C27H44O2 400.334130
LMST03020389 (23R)-1alpha,23,25-trihydroxy-23-methylvitamin D3 / (23R)-1alpha,23,25-trihydroxy-23-methylcholecalciferol (5Z,7E)-(1S,3R,23R)-23-methyl-9,10-seco-5,7,10(19)-cholestatrien-1,3,23,25-tetrol C28H46O4 446.339610
LMST03020367 (24R)-1alpha,25-dihydroxy-24-methylvitamin D3 /(24R)-1alpha,25-dihydroxy-24-methylcholecalciferol (5Z,7E)-(1S,3R,24R)-24-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O3 430.344695
LMST03020371 1alpha,25-dihydroxy-26-methylvitamin D3 (5Z,7E)-(1S,3R)-26-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O3 430.344695
LMST03020320 (22E)-1alpha,25-dihydroxy-26-methyl-22,23-didehydrovitamin D3 (5Z,7E,22E)-(1S,3R)-26-methyl-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol C28H44O3 428.329045
LMST03020324 (22E)-(25S)-1alpha,25-dihydroxy-26-methyl-22,23-didehydrovitamin D3 (5Z,7E,22E)-(1S,3R,25S)-26-methyl-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol C28H44O3 428.329045
LMST03020323 (22E)-(25R)-1alpha,25-dihydroxy-26-methyl-22,23-didehydrovitamin D3 (5Z,7E,22E)-(1S,3R,25R)-26-methyl-9,10-seco-5,7,10(19),22-cholestatetraene-1,3,25-triol C28H44O3 428.329045
LMST03020318 (22E)-(25S)-25-hydroxy-26-methyl-22,23-didehydrovitamin D3 (5Z,7E,22E)-(3S,25S)-26-methyl-9,10-seco-5,7,10(19),22-cholestatetraene-3,25-diol C28H44O2 412.334130
LMST03020317 (22E)-(25R)-25-hydroxy-26-methyl-22,23-didehydrovitamin D3 (5Z,7E,22E)-(3S,25R)-26-methyl-9,10-seco-5,7,10(19),22-cholestatetraene-3,25-diol C28H44O2 412.334130
LMST03020336 1alpha,25-dihydroxy-3alpha-methyl-3-deoxyvitamin D3 (5Z,7E)-(1S,3S)-3-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,25-diol C28H46O2 414.349780
LMST03020180 calicoferol B (8S,16S)-3,16-dihydroxy-9,10-seco-1,3,5(10)-cholestatrien-9-one C27H42O3 414.313395
LMST03020313 calicoferol D (22E)-(8S)-3-hydroxy-22-methyl-9,10-seco-1,3,5(10),22-cholestatetraen-9-one C28H42O2 410.318480
LMST03020157 calicoferol E (8S)-3-hydroxy-9,10-seco-1,3,5(10)-cholestatrien-9-one C27H42O2 398.318480
LMST03020242 astrogorgiadiol B (8S,9R)-9,10-seco-1,3,5(10)-cholestatriene-3,9-diol C27H44O2 400.334130
LMST03020158 1-oxoprevitamin D3 (6Z)-(3R)-3-hydroxy-9,10-seco-5(10),6,8-cholestatriene-1-one C27H42O2 398.318480
LMST03020221 (5E)-3-epivitamin D3 (5E,7E)-(3R)-9,10-seco-5,7,10(19)-cholestatrien-3-ol C27H44O 384.339215
LMST03020219 3-epivitamin D3 (5Z,7E)-(3R)-9,10-seco-5,7,10(19)-cholestatrien-3-ol C27H44O 384.339215
LMST03020268 18,25-dihydroxyvitamin D3 (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatriene-3,18,25-triol C27H44O3 416.329045
LMST03020297 22,24,25-trihydroxyvitamin D3 (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatriene-3,22,24,25-tetrol C27H44O4 432.323960
LMST03020269 (22R)-22,25-dihydroxyvitamin D3 (5Z,7E)-(3S,22R)-9,10-seco-5,7,10(19)-cholestatriene-3,22,25-triol C27H44O3 416.329045
LMST03020270 (22S)-22,25-dihydroxyvitamin D3 (5Z,7E)-(3S,22S)-9,10-seco-5,7,10(19)-cholestatriene-3,22,25-triol C27H44O3 416.329045
LMST03020243 (22S)-22-hydroxyvitamin D3 (5Z,7E)-(3S,22S)-9,10-seco-5,7,10(19)-cholestatriene-3,22-diol C27H44O2 400.334130
LMST03020271 (23R)-23,25-dihydroxyvitamin D3 (5Z,7E)-(3S,23R)-9,10-seco-5,7,10(19)-cholestatriene-3,23,25-triol C27H44O3 416.329045
LMST03020298 (23S)-23,24,25-trihydroxyvitamin D3 (5Z,7E)-(3S,23S)-9,10-seco-5,7,10(19)-cholestatriene-3,23,24,25-tetrol C27H44O4 432.323960
LMST03020187 (23S)-23,25-dihydroxy-24-oxovitamin D3 (5Z,7E)-(3S,23S)-3,23,25-trihydroxy-9,10-seco-5,7,10(19)-cholestatrien-24-one C27H42O4 430.308310