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
LMST03020662 19-Hydroxy-10S,19-dihydrovitamin D3 (5Z,7E)-(3S,10S)-9,10-seco-5,7-cholestadiene-3,19-diol C27H46O2 402.349780
LMST03020663 25-Fluorovitamin D3 (5Z,7E)-(3S)-25-fluoro-9,10-seco-5,7,10(19)-cholestatrien-3-ol C27H43OF 402.329793
LMST03020664 25-Dehydrovitamin D3 (5Z,7E)-(3S)-9,10-seco-5,7,10(19),25-cholestatetraen-3-ol C27H42O 382.323565
LMST03020665 24-Dehydroprevitamin D3 (4E,6Z,8Z)-(1R)-4-methyl-9,10-seco-4(5),6,8,24-cholestatetraen-1-ol C27H42O 382.323565
LMST03020666 1,24-Dihydroxy-25-fluorovitamin D3 (5Z,7E)-(1S,3R,24S)-24-fluoro-9,10-seco-5,7,10(19)-cholestatriene-1,3,24-triol C27H43O3F 434.319623
LMST03020667 1alpha,25-Difluorovitamin D3 (5Z,7E)-(1R,3R)-1,25-difluoro-9,10-seco-5,7,10(19)-cholestatriene-3-ol C27H42OF2 420.320371
LMST03020668 1,25-Dihydroxy-23-oxo-vitamin D3 (5Z,7E)-(1S,3R)-23-oxo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C27H42O4 430.308310
LMST03020669 11-Hydroxyvitamin D3 (5Z,7E)-(3S,11S)-9,10-seco-5,7,10(19)-cholestatrien-3,11-diol C27H44O2 400.334130
LMST03020670 1-Hydroxyvitamin D3 cellobioside (5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatrien-3-cellobioside C39H64O12 724.439780
LMST03020671 1-Hydroxyvitamin D3 3-D-glucopyranoside (5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatrien-3-D-glucopyranoside C33H52O8 576.366220
LMST03020672 7-Dehydrocholesterol 5,6-oxide 5beta,6beta-epoxy-cholest-7-ene-3beta-ol C27H44O2 400.334130
LMST03020673 25-Hydroxy-6,19-dihydro-6,19-ethanovitamin D3 (5Z,7E)-(3S)-6,19-ethano-9,10-seco-5(10),7-cholestadiene-3,25-diol C29H48O2 428.365430
LMST03020674 1alpha,23R,25S,26-Tetrahydroxyvitamin D3 (5Z,7E)-(1S,3R,23R,25S)-9,10-seco-5,7,10(19)-cholestatriene-1,3,23,25,26-pentol C27H44O5 448.318875
LMST03020675 1alpha,25-dihydroxy-2alpha-(3-hydroxypropoxy)vitamin D3 (5Z,7E)-(1S,2S,3R)-2-(3-hydroxy-propoxy)-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C30H50O5 490.365825
LMST03020676 24,24-Difluoro-25-hydroxy-26,27-dimethylvitamin D3 (5Z,7E)-(3S)-24,24-difluoro-26,27-dimethyl-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol C29H46O2F2 464.346586
LMST03020677 3-Deoxy-3-azido-25-hydroxyvitamin D3 (5Z,7E)-(3S)-3-azido-9,10-seco-5,7,10(19)-cholestatrien-25-ol C27H43N3O 425.340612
LMST03020678 22-Hydroxyvitamin D3 (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-cholestatriene-3,22-triol C27H44O2 400.334130
LMST03020679 2-Nor-1,3-seco-1alpha,25-dihydroxyvitamin D3 (5ZE,7E)-2-nor-1,3-seco-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C26H44O3 404.329045
LMST03020680 24-Nor-9,11-seco-11-acetoxy-3,6-dihydroxycholest-7,22-dien-9-one 3beta,6alpha-dihydroxy-11-acetoxy-24-nor-9,11-seco-cholest-7,22E-diene-9-one C28H44O5 460.318875
LMST03020681 Ecalcidene (5Z,7E)-(1S,3R)-24-oxo-25-aza-26,27-propano-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C29H45NO3 455.339944
LMST03020682 EB 1213 (5Z,7E)-(1S,3R)-23-oxa-23-[3-(1-hydroxy-1-methylethyl)phenyl]-24,25,26,27-tetranor-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol C31H44O4 480.323960
LMST03020683 Atocalcitol (5Z,7E)-(1S,3R)-23-oxa-24-[3-(1-hydroxy-1-methylethyl)phenyl]-25,26,27-trinor-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol C32H46O4 494.339610
LMST03020684 3'-O-Aminopropyl-25-hydroxyvitamin D3 (5Z,7E)-(3S)-3-(3'-O-amino-propyl)-9,10-seco-5,7,10(19)-cholestatriene-3,25-triol C30H51NO2 457.391979
LMST03020685 1alpha,25-Dihydroxy-2-[3'-(methoxymethoxy)propylidene]-19-norvitamin D3 (5E,7E)-(1R,3R)-2-(3'-(methoxymethoxy)-propylidene)-19-nor-9,10-seco-5,7-cholestatriene-1,3,25-triol C31H52O5 504.381475
LMST03020686 calcitetrol (1S,3R,5Z,7E,24R,25)-9,10-secocholesta-5,7,10(19)-triene-1,3,24,25-tetrol C27H44O4 432.323960
LMST03020687 (1S)-1-hydroxy-23-oxo-24,25,26,27-tetranorcalciol (1S,3R,5Z,7E)-1,3-dihydroxy-24-nor-9,10-secochola-5,7,10(19)-trien-23-al C23H34O3 358.250795
LMST03020688 (1S)-1-hydroxy-23,24-didehydro-25,26,27-trinorcalciol (1S,3R,5Z,7E)-9,10-secochola-5,7,10,23-tetraene-1,3-diol C24H36O2 356.271530
LMST03020689 3beta,23S,25-dihydroxyvitamin D3 C27H44O3 416.329045
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
LMST03020691 Subergorgiaol B 9,10-seco-1,3,5(10),22E-cholestatetraen-3,8beta,9alpha-triol C27H42O3 414.313395
LMST03020690 Subergorgiaol A 9,10-seco-1,3,5(10)-cholestatrien-3,8beta,9alpha-triol C27H44O3 416.329045
LMST03020692 Subergorgiaol H 9,10-seco-1,3,5(10),22E-cholestatetraen-3,8beta,9alpha,15beta-tetraol C27H42O4 430.308310
LMST03020693 Subergorgiaol J 3,8beta-dihydroxy-9,10-seco-1,3,5(10)-cholestatrien-9-one C27H42O3 414.313395
LMST03020694 Sibogol D 3-hydroxy-9,10-seco-1,3,5(10)24-cholestatetraen-9-one C27H40O2 396.302830
LMST05010075 25-hydroxyvitamin D3 3-glucuronide (5Z,7E)-25-hydroxy-10-seco-5,7,10(19)-cholestatrien-3alpha-yl beta-D-glucopyranosiduronic acid ST 27:2;O2;GlcA C33H52O8 576.366220
LMST05010076 1alpha,25-dihydroxyvitamin D3 25-glucuronide (5Z,7E)-1alpha,3beta-dihydroxy-10-seco-5,7,10(19)-cholestatrien-25-yl beta-D-glucopyranosiduronic acid ST 27:2;O3;GlcA C33H52O9 592.361135
LMST05010074 25-hydroxyvitamin D3 25-glucuronide (5Z,7E)-3beta-hydroxy-10-seco-5,7,10(19)-cholestatrien-25-yl beta-D-glucopyranosiduronic acid ST 27:2;O2;GlcA C33H52O8 576.366220