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
LMST03020656 1-Hydroxyvitamin D3 diacetate (5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatrien-1,3-diethanoate C31H48O4 484.355260
LMST03020657 1-Hydroxyprevitamin D3 (4E,6Z,8Z)-(1S,3R)-4-methyl-9,10-seco-4(5),6,8-cholestatrien-3-ol C27H44O2 400.334130
LMST03010068 Suprasterol II (5E,22E)-(3S,7R,13R,14S,17S,20S)-7,19-cyclo-8,19-cyclo-9,10-seco-5(10),22-ergostadien-3-ol C28H44O 396.339215
LMST03030004 22-Hydroxy Vitamin D4 (3S,24R)-9,10-seco-5Z,7E,10(19)-ergostatrien-3,24-diol C28H46O2 414.349780
LMST03020658 3-Fluoro-9,10-secocholesta-5,7,10(19)-triene (5Z,7E)-(3S)-3-fluoro-9,10-seco-5,7,10(19)-cholestatriene C27H43F 386.334878
LMST03010069 Doxercalciferol (5Z,7E,22E)-(3S,5R,24S)-9,10-seco-5,7,10(19),22-ergostatetraen-3,24-diol C28H44O2 412.334130
LMST03020659 1-Hydroxyprevitamin D3 diacetate (5E,6Z,8Z)-(1S,3R)-9,10-seco-5(10),6,8-cholestatrien-1,3-diethanoate C31H48O4 484.355260
LMST03020660 1alpha,25-Dihydroxy-previtamin D3 (4E,6Z,8Z)-(1S,3R)-4-methyl-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C27H44O3 416.329045
LMST03010070 Vitamin D2 glucosiduronate (5Z,7E,22E)-(3S,24S)-9,10-seco-5,7,10(19),22-ergostatetraen-3-glucosiduronate C34H52O7 572.371305
LMST03020661 1alpha-Hydroxypregnacalciferol (5E,7Z)-(1S,3R)-9,10-seco-5,7,10(19)-cholestatriene-1,3-diol C27H44O2 400.334130
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
LMST03060003 Carcinomedin (5Z,7E)-(3R)-1-oxo-9,10-seco-5,7,10(19)-campestatrien-3-ol C28H44O3 428.329045
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
LMST03060004 KH 1049 (5E,7E)-(1S,3R,20R)-22-oxa-24a,24b-dihomo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol C28H46O4 446.339610
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
LMST03040004 1-Hydroxyvitamin D5 (5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-poriferastatrien-1,3-diol C29H48O2 428.365430
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
LMST04030163 paricalcitol (1R,3R,7E)-17beta-[(2R,3E,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-9,10-secoestra-5,7-diene-1,3-diol ST 27:2;O3 C27H44O3 416.329045
LMST03020689 3beta,23S,25-dihydroxyvitamin D3 C27H44O3 416.329045
LMST03030005 3-epi-5,6-trans-25-Hydroxyvitamin D3 (5E,7Z)-(3R)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol C27H44O2 400.334130
LMST03010072 Vitamin D2 3-glucuronide C34H52O7 572.371305
LMST03020126 (5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]vitamin D3 / (5E)-(24R)-24,25-dihydroxy-[6,19,19-trideutrio]cholecalciferol (5E,7E)-(3S,24R)-[6,19,19-trideuterio-]-9,10-seco-5,7,10(19)-cholestatriene-3,24,25-triol C27H41D3O3 419.347876
LMST03020097 9,14,19,19,19-pentadeuterio-1alpha,25-dihydroxyprevitamin D3 / 9,14,19,19,19-pentadeuterio-1alpha,25-dihydroxyprecholecalciferol (6Z)-(1S,3R)-9,14,19,19,19-pentadeuterio-9,10-seco-5(10),6,8-cholestatriene-1,3,25-triol C27H39D5O3 421.360430
LMST03020637 1-Fluoro-25-hydroxy-16-ene-23-yne-26,27-hexadeuterovitamin-D3 (5Z,7E,16Z)-(1S,3R)-1-fluoro-13-yne-26,26,26,27,27,27-hexadeutero-9,10-seco-5,7,10(19),16-cholestatetraen-3,25-diol C27H31D6FO2 418.315420
LMST03010074 Subergorgiaol D 9,10-seco-1,3,5(10),24(28)-ergostatetraen-3,8beta,9alpha-triol C28H44O3 428.329045
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