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
LMST03020272 (23S)-23,25-dihydroxyvitamin D3 (5Z,7E)-(3S,23S)-9,10-seco-5,7,10(19)-cholestatriene-3,23,25-triol C27H44O3 416.329045
LMST03020299 (23S,25R)-23,25,26-trihydroxyvitamin D3 (5Z,7E)-(3S,23S,25R)-9,10-seco-5,7,10(19)-cholestatriene-3,23,25,26-tetrol C27H44O4 432.323960
LMST03020300 24,25,26-trihydroxyvitamin D3 (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatriene-3,24,25,26-tetrol C27H44O4 432.323960
LMST03020274 (24S)-24,25-dihydroxyvitamin D3 (5Z,7E)-(3S,24S)-9,10-seco-5,7,10(19)-cholestatriene-3,24,25-triol C27H44O3 416.329045
LMST03020179 (22E)-(24S)-24,25-dihydroxy-22,23-didehydrovitamin D3 (5Z,7E,22E)-(3S,24S)-9,10-seco-5,7,10(19),22-cholestatetraene-3,24,25-triol C27H42O3 414.313396
LMST03020245 (24S)-24-hydroxyvitamin D3 / (24S)-24-hydroxycholecalciferol (5Z,7E)-(3S,24S)-9,10-seco-5,7,10(19)-cholestatriene-3,24-diol C27H44O2 400.334130
LMST03020273 (24R)-24,25-dihydroxyvitamin D3 (5Z,7E)-(3S,24R)-9,10-seco-5,7,10(19)-cholestatriene-3,24,25-triol C27H44O3 416.329045
LMST03020178 (22E)-(24R)-24,25-dihydroxy-22,23-didehydrovitamin D3 / (22E)-(24R)-24,25-dihydroxy-22,23-didehydrocholecalciferol (5Z,7E,22E)-(3S,24R)-9,10-seco-5,7,10(19),22-cholestatetraene-3,24,25-triol C27H42O3 414.313395
LMST03020244 (24R)-24-hydroxyvitamin D3 (5Z,7E)-(3S,24R)-9,10-seco-5,7,10(19)-cholestatriene-3,24-diol C27H44O2 400.334130
LMST03020165 25-hydroxy-1-oxo-3-epiprevitamin D3 (6Z)-(3S)-3,25-dihydroxy-9,10-seco-5(10),6,8-cholestatrien-1-one C27H42O3 414.313395
LMST03020163 25-hydroxy-23-oxovitamin D3 (5Z,7E)-(3S)-3,25-dihydroxy-9,10-seco-5,7,10(19)-cholestatrien-23-one C27H42O3 414.313395
LMST03020164 25-hydroxy-24-oxovitamin D3 (5Z,7E)-(3S)-3,25-dihydroxy-9,10-seco-5,7,10(19)-cholestatrien-24-one C27H42O3 414.313395
LMST03020104 (22E)-25-hydroxy-24-oxo-22,23-didehydrovitamin D3 (5Z,7E,22E)-(3S)-3,25-dihydroxy-9,10-seco-5,7,10(19),22-cholestatetraen-24-one C27H40O3 412.297745
LMST03020247 25-hydroxy-14-epivitamin D3 (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol C27H44O2 400.334130
LMST03020246 25-hydroxyvitamin D3 (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol C27H44O2 400.334130
LMST03020155 25-hydroxy-16,17-didehydrovitamin D3 (5Z,7E)-(3S)-9,10-seco-5,7,10(19),16-cholestatetraene-3,25-diol C27H42O2 398.318480
LMST03020156 23,24-didehydro-25-hydroxyvitamin D3 (5Z,7E,23E)-(3S)-9,10-seco-5,7,10(19),23-cholestatetraene-3,25-diol C27H42O2 398.318480
LMST03020276 (25S)-25,26-dihydroxyvitamin D3 (5Z,7E)-(3S,25S)-9,10-seco-5,7,10(19)-cholestatriene-3,25,26-triol C27H44O3 416.329045
LMST03020225 (5E)-isovitamin D3 (5E,7E)-(3S)-9,10-seco-1(10),5,7-cholestatrien-3-ol C27H44O 384.339215
LMST03020228 (3S,6S)-9,10-seco-5(10),6,7-cholestatrien-3-ol C27H44O 384.339215
LMST03020229 (3S,6R)-9,10-seco-5(10),6,7-cholestatrien-3-ol C27H44O 384.339215
LMST03020222 previtamin D3 (6Z)-(3S)-9,10-seco-5(10),6,8-cholestatrien-3-ol C27H44O 384.339215
LMST03020223 tachysterol3 (6E)-(3S)-9,10-seco-5(10),6,8-cholestatrien-3-ol C27H44O 384.339215
LMST03020224 isotachysterol3 (6E)-(3S)-9,10-seco-5(10),6,8(14)-cholestatrien-3-ol C27H44O 384.339215
LMST03020308 Toxisterol3 R1 (7E)-(3S)-9,10-seco-5(10),7-cholestadien-3-ol C27H46O 386.354865
LMST03020220 (5E)-vitamin D3 (5E,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatrien-3-ol C27H44O 384.339215
LMST03020147 24,25-didehydrovitamin D3 / 24,25-didehydrocholecalciferol (5Z,7E)-(3S)-9,10-seco-5,7,10(19),24-cholestatetraen-3-ol C27H42O 382.323565
LMST03020226 toxisterol3 D1 (5Z)-(3S)-9,10-seco-5,8,10(19)-cholestatrien-3-ol C27H44O 384.339215
LMST03020333 6-methylprevitamin D3 / 6-methylprecholecalciferol (6E)-(3S)-6-methyl-9,10-seco-5(10),6,8-cholestatrien-3-ol C28H46O 398.354865
LMST03020331 6-methylvitamin D3 (5Z,7E)-(3S)-6-methyl-9,10-seco-5,7,10(19)-cholestatrien-3-ol C28H46O 398.354865
LMST03020166 (6E)-(8S)-8,25-dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one C27H42O3 414.313395
LMST03020605 calicoferol A (22E)-(8S)-3-hydroxy-9,10-seco-1,3,5(10),22-cholestatetraen-9-one C27H40O2 396.302830
LMST03020002 20-oxo-22,23,24,25,26,27-hexanorvitamin D3 (5Z,7E)-(3S)-3-dihydroxy-9,10-seco-5,7,10(19)-pregnatrien-20-one C21H30O2 314.224580
LMST03020003 1alpha-hydroxy-20-oxo-22,23,24,25,26,27-hexanorvitamin D3 (5Z,7E)-(1S,3R)-1,3-dihydroxy-9,10-seco-5,7,10(19)-pregnatrien-20-one C21H30O3 330.219495
LMST03020004 1alpha,21-dihydroxy-20-oxo-22,23,24,25,26,27-hexanorvitamin D3 (5Z,7E)-(1S,3R)-1,3,21-trihydroxy-9,10-seco-5,7,10(19)-pregnatrien-20-one C21H30O4 346.214410
LMST03020005 1alpha,17alpha,21-trihydroxy-20-oxo-22,23,24,25,26,27-hexanorvitamin D3 (5Z,7E)-(1S,3R,17R)-1,3,17,21-tetrahydroxy-9,10-seco-5,7,10(19)-pregnatrien-20-one C21H30O5 362.209325
LMST03020006 (20S)-1alpha,20-dihydroxy-22,23,24,25,26,27-hexanorvitamin D3 (5Z,7E)-(1S,3R,20S)-9,10-seco-5,7,10(19)-pregnatriene-1,3,20-triol C21H32O3 332.235145
LMST03020007 1alpha-hydroxy-22-oxo-23,24,25,26,27-pentanorvitamin D3 (5Z,7E)-(1S,3R)-1,3-dihydroxy-9,10-seco-23,24-dinor-5,7,10(19)-cholatrien-22-one C22H32O3 344.235145
LMST03020008 (6RS)-22-oxo-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur dioxide adduct (7E)-(3S,6RS)-3-hydroxy-6,19-epithio-23,24-dinor-9,10-seco-5(10),7-choladien-22-al S,S-dioxide C22H32O4S 392.202132
LMST03020009 1alpha-hydroxy-23,24,25,26,27-pentanorvitamin D3 (5Z,7E)-(1S,3R)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol C22H34O2 330.255880
LMST03020010 22-hydroxy-23,24,25,26,27-pentanorvitamin D3 (5Z,7E)-(3S)-23,24-dinor-9,10-seco-5,7,10(19)-cholatrien-3,22-diol C22H34O2 330.255880
LMST03020011 1alpha,22-dihydroxy-23,24,25,26,27-pentanorvitamin D3 (5Z,7E)-(1S,3R)-23,24-dinor-9,10-seco-5,7,10(19)-cholatriene-1,3,22-triol C22H34O3 346.250795
LMST03020012 (6RS)-22-hydroxy-23,24,25,26,27-pentanorvitamin D3 6,19-sulfur dioxide adduct (7E)-(3S,6RS)-6,19-epithio-23,24-dinor-9,10-seco-5(10),7-choladiene-3,22-diol S,S-dioxide C22H34O4S 394.217782
LMST03020013 1alpha-hydroxy-24,25,26,27-tetranorvitamin D3 23-carboxylic acid (5Z,7E)-(1S,3R)-1,3-dihydroxy-24-nor- 9,10-seco-5,7,10(19)-cholatrien-23-oic acid C23H34O4 374.245710
LMST03020014 1alpha-hydroxy-24,25,26,27-tetranorvitamin D3 (5Z,7E)-(1S,3R)-24-nor-9,10-seco-5,7,10(19)-cholatriene-1,3-diol C23H36O2 344.271530
LMST03020015 (22R)-22-hydroxy-24,25,26,27-tetranorvitamin D3 (5Z,7E)-(3S,22R)- 24-nor-9,10-seco-5,7,10(19)-cholatriene-3,22-diol C23H36O2 344.271530
LMST03020016 (22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 (5Z,7E)-(3S,22S)- 24-nor-9,10-seco-5,7,10(19)-cholatriene-3,22-diol C23H36O2 344.271530
LMST03020017 (5E)-(22R)-22-hydroxy-24,25,26,27-tetranorvitamin D3 (5E,7E)-(3S,22R)- 24-nor-9,10-seco-5,7,10(19)-cholatriene-3,22-diol C23H36O2 344.271530
LMST03020018 (5E)-(22S)-22-hydroxy-24,25,26,27-tetranorvitamin D3 (5E,7E)-(3S,22S)- 24-nor-9,10-seco-5,7,10(19)-cholatriene-3,22-diol C23H36O2 344.271530
LMST03020019 23-hydroxy-24,25,26,27-tetranorvitamin D3 (5Z,7E)-(3S)-24-nor-9,10-seco-5,7,10(19)-cholatriene-3,23-diol C23H36O2 344.271530