Structure Database (LMSD)

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LMSD: Lipid classification search results

Sterol Lipids [ST] (W) --> Secosteroids [ST03]--> Vitamin D3 and derivatives [ST0302]
LM_IDCommon NameSystematic NameFormulaMass
LMST03020000Cholecalciferol (Vitamin D3) skeleton (W)---
LMST03020001Vitamin D3 (W)(5Z,7E)-(3S)-9,10-seco-5,7,10(19)-
cholestatrien-3-ol
C27H44O384.3392
LMST0302000220-oxo-22,23,24,25,26,27-
hexanorvitamin D3 / 20-oxo-22,23,24,25,
26,27-hexanorcholecalciferol
(5Z,7E)-(3S)-3-dihydroxy-9,10-seco-5,7,
10(19)-pregnatrien-20-one
C21H30O2314.2246
LMST030200031α-hydroxy-20-oxo-22,23,24,25,26,27-
hexanorvitamin D3 / 1α-hydroxy-20-oxo-
22,23,24,25,26,27-
hexanorcholecalciferol
(5Z,7E)-(1S,3R)-1,3-dihydroxy-9,10-
seco-5,7,10(19)-pregnatrien-20-one
C21H30O3330.2195
LMST030200041α,21-dihydroxy-20-oxo-22,23,24,25,26,
27-hexanorvitamin D3 / 1α,21-dihydroxy-
20-oxo-22,23,24,25,26,27-
hexanorcholecalciferol
(5Z,7E)-(1S,3R)-1,3,21-trihydroxy-9,10-
seco-5,7,10(19)-pregnatrien-20-one
C21H30O4346.2144
LMST030200051α,17α,21-trihydroxy-20-oxo-22,23,24,
25,26,27-hexanorvitamin D3 / 1α,17α,21-
trihydroxy-20-oxo-22,23,24,25,26,27-
hexanorcholecalciferol
(5Z,7E)-(1S,3R,17R)-1,3,17,21-
tetrahydroxy-9,10-seco-5,7,10(19)-
pregnatrien-20-one
C21H30O5362.2093
LMST03020006(20S)-1α,20-dihydroxy-22,23,24,25,26,
27-hexanorvitamin D3 / (20S)-1α,20-
dihydroxy-22,23,24,25,26,27-
hexanorcholecalciferol
(5Z,7E)-(1S,3R,20S)-9,10-seco-5,7,
10(19)-pregnatriene-1,3,20-triol
C21H32O3332.2351
LMST030200071α-hydroxy-22-oxo-23,24,25,26,27-
pentanorvitamin D3 / 1α-hydroxy-22-oxo-
23,24,25,26,27-pentanorcholecalciferol
(5Z,7E)-(1S,3R)-1,3-dihydroxy-9,10-
seco-23,24-dinor-5,7,10(19)-cholatrien-
22-one
C22H32O3344.2351
LMST03020008(6RS)-22-oxo-23,24,25,26,27-
pentanorvitamin D3 6,19-sulfur dioxide
adduct / (6RS)-22-oxo-23,24,25,26,27-
pentanorcholecalciferol 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
C22H32O4S392.2021
LMST030200091α-hydroxy-23,24,25,26,27-
pentanorvitamin D3 / 1α-hydroxy-23,24,
25,26,27-pentanorcholecalciferol
(5Z,7E)-(1S,3R)-23,24-dinor-9,10-seco-
5,7,10(19)-cholatriene-1,3-diol
C22H34O2330.2559
LMST0302001022-hydroxy-23,24,25,26,27-
pentanorvitamin D3 / 22-hydroxy-23,24,
25,26,27-pentanorcholecalciferol
(5Z,7E)-(3S)-23,24-dinor-9,10-seco-5,7,
10(19)-cholatrien-3,22-diol
C22H34O2330.2559
LMST030200111α,22-dihydroxy-23,24,25,26,27-
pentanorvitamin D3 / 1α,22-dihydroxy-
23,24,25,26,27-pentanorcholecalciferol
(5Z,7E)-(1S,3R)-23,24-dinor-9,10-seco-
5,7,10(19)-cholatriene-1,3,22-triol
C22H34O3346.2508
LMST03020012(6RS)-22-hydroxy-23,24,25,26,27-
pentanorvitamin D3 6,19-sulfur dioxide
adduct / (6RS)-22-hydroxy-23,24,25,26,
27-pentanorcholecalciferol 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
C22H34O4S394.2178
LMST030200131α-hydroxy-24,25,26,27-tetranorvitamin
D3 23-carboxylic acid / calcitroic acid
(5Z,7E)-(1S,3R)-1,3-dihydroxy-24-nor-
9,10-seco-5,7,10(19)-cholatrien-23-oic
acid
C23H34O4374.2457
LMST030200141α-hydroxy-24,25,26,27-tetranorvitamin
D3 / 1α-hydroxy-24,25,26,27-
tetranorcholecalciferol
(5Z,7E)-(1S,3R)-24-nor-9,10-seco-5,7,
10(19)-cholatriene-1,3-diol
C23H36O2344.2715
LMST03020015(22R)-22-hydroxy-24,25,26,27-
tetranorvitamin D3 / (22R)-22-hydroxy-
24,25,26,27-tetranorcholecalciferol
(5Z,7E)-(3S,22R)- 24-nor-9,10-seco-5,7,
10(19)-cholatriene-3,22-diol
C23H36O2344.2715
LMST03020016(22S)-22-hydroxy-24,25,26,27-
tetranorvitamin D3 / (22S)-22-hydroxy-
23,24,25,26,27-pentanorcholecalciferol
(5Z,7E)-(3S,22S)- 24-nor-9,10-seco-5,7,
10(19)-cholatriene-3,22-diol
C23H36O2344.2715
LMST03020017(5E)-(22R)-22-hydroxy-24,25,26,27-
tetranorvitamin D3 / (5E)-(22R)-22-
hydroxy-24,25,26,27-
tetranorcholecalciferol
(5E,7E)-(3S,22R)- 24-nor-9,10-seco-5,7,
10(19)-cholatriene-3,22-diol
C23H36O2344.2715
LMST03020018(5E)-(22S)-22-hydroxy-24,25,26,27-
tetranorvitamin D3 / (5E)-(22S)-22-
hydroxy-24,25,26,27-
tetranorcholecalciferol
(5E,7E)-(3S,22S)- 24-nor-9,10-seco-5,7,
10(19)-cholatriene-3,22-diol
C23H36O2344.2715
LMST0302001923-hydroxy-24,25,26,27-tetranorvitamin
D3 / 23-hydroxy-24,25,26,27-
tetranorcholecalciferol
(5Z,7E)-(3S)-24-nor-9,10-seco-5,7,
10(19)-cholatriene-3,23-diol
C23H36O2344.2715
LMST030200201α,23-dihydroxy-24,25,26,27-
tetranorvitamin D3 / 1α,23-dihydroxy-
24,25,26,27-tetranorcholecalciferol
(5Z,7E)-(1S,3R)-24-nor-9,10-seco-5,7,
10(19)-cholatriene-1,3,23-triol
C23H36O3360.2664
LMST03020021cholacalcioic acid / 25,26,27-
trinorvitamin D3 24-carboxylic acid /
25,26,27-trinorcholecalciferol 24-
carboxylic acid
(5Z,7E)-(3S)-3-hydroxy-9,10-seco-5,7,
10(19)-cholatrien-24-oic acid
C24H36O3372.2664
LMST030200221α-hydroxy-25,26,27-trinorvitamin D3
24-carboxylic acid
(5Z,7E)-(1S,3R)-1,3-dihydroxy-9,10-
seco-5,7,10(19)-cholatrien-24-oic acid
C24H36O4388.2614
LMST030200231α,24-dihydroxy-25,26,27-trinorvitamin
D3 / 1α,24-dihydroxy-25,26,27-
trinorcholecalciferol
(5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-
cholatriene-1,3,24-triol
C24H38O3374.2821
LMST0302002426,26,26-trifluoro-25-hydroxy-27-
norvitamin D3 / 26,26,26-trifluoro-25-
hydroxy-27-norcholecalciferol
(5Z,7E)-(3S)-26,26,26-trifluoro-27-nor-
9,10-seco-5,7,10(19)-cholestatriene-3,
25-diol
C26H39F3O2440.2902
LMST030200251α-hydroxy-26,27-dinorvitamin D3 25-
carboxylic acid / 1α-hydroxy-26,27-
dinorcholecalciferol 25-carboxylic acid
(5Z,7E)-(1S,3R)-1,3-dihydroxy-25-homo-
9,10-seco-5,7,10(19)-cholatrien-25-oic
acid
C25H38O4402.2770
LMST030200261α-hydroxy-21-nor-20-oxavitamin D3 /
1α-hydroxy-21-nor-20-oxacholecalciferol
(5Z,7E)-(1S,3R)-21-nor-20-oxa-9,10-
seco-5,7,10(19)-cholestatriene-1,3-diol
C25H40O3388.2977
LMST030200271α,25-dihydroxy-23,24-dinorvitamin D3
/ 1α,25-dihydroxy-23,24-
dinorcholecalciferol
(5Z,7E)-(1S,3R)-23,24-dinor-9,10-seco-
5,7,10(19)-cholestatriene-1,3,25-triol
C25H40O3388.2977
LMST030200281α,25-dihydroxy-26,27-dinorvitamin D3
/ 1α,25-dihydroxy-26,27-
dinorcholecalciferol
(5Z,7E)-(1S,3R)-26,27-dinor-9,10-seco-
5,7,10(19)-cholestatriene-1,3,25-triol
C25H40O3388.2977
LMST030200291α,25-dihydroxy-21-nor-20-oxavitamin
D3 / 1α,25-dihydroxy-21-nor-20-
oxacholecalciferol
(5Z,7E)-(1S,3R)-21-nor-20-oxa-9,10-
seco-5,7,10(19)-cholestatriene-1,3,25-
triol
C25H40O4404.2927
LMST030200301α,25-dihydroxy-24-nor-22-oxavitamin
D3 / 1α,25-dihydroxy-24-nor-22-
oxacholecalciferol
(5Z,7E)-(1S,3R)-24-nor-22-oxa-9,10-
seco-5,7,10(19)-cholestatriene-1,3,25-
triol
C25H40O4404.2927
LMST030200311α-hydroxy-24-methylsulfonyl-25,26,27-
trinorvitamin D3 / 1α-hydroxy-24-
methylsulfonyl-25,26,27-
trinorcholecalciferol
(5Z,7E)-(1S,3R)-24-methylsulfonyl-9,10-
seco-5,7,10(19)-cholatriene-1,3-diol
C25H40O4S436.2647
LMST030200321,25-dihydroxy-2,4-dinor-1,3-
secovitamin D3 / 1,25-dihydroxy-2,4-
dinor-1,3-secocholecalciferol
(5Z,7E)-A-dinor-(1,2)-(9,10)-diseco-5,
7,10(19)-cholestatriene-1,2,25-triol
C25H42O3390.3134
LMST0302003325,26-epoxy-1α-hydroxy-23,23,24,24-
tetradehydro-19-norvitamin D3 / 25,26-
epoxy-1α-hydroxy-23,23,24,24-
tetradehydro-19-norcholecalciferol
(7E)-(1R,3R)-25,26-epoxy-19-nor-9,10-
seco-5,7-cholestadien-23-yne-1,3-diol
C26H38O3398.2821
LMST03020034(22E,24E)-1α,26-dihydroxy-22,23,24,25-
tetradehydro-27-norvitamin D3 / (22E,
24E)-1α,26-dihydroxy-22,23,24,25-
tetradehydro-27-norcholecalciferol
(5Z,7E,22E,24E)-(1S,3R)-27-nor-9,10-
seco-5,7,10(19),22,24-cholestapentaene-
1,3,26-triol
C26H38O3398.2821
LMST03020035(17E)-1α,25-dihydroxy-17,20-didehydro-
21-norvitamin D3 / (17E)-1α,25-
dihydroxy-17,20-didehydro-21-
norcholecalciferol
(5Z,7E,17E)-(1S,3R)-21-nor-9,10-seco-5,
7,10(19),17-cholestatetraene-1,3,25-
triol
C26H40O3400.2977
LMST03020036(17Z)-1α,25-dihydroxy-17,20-didehydro-
21-norvitamin D3 / (17Z)-1α,25-
dihydroxy-17,20-didehydro-21-
norcholecalciferol
(5Z,7E,17Z)-(1S,3R)-21-nor-9,10-seco-5,
7,10(19),17-cholestatetraene-1,3,25-
triol
C26H40O3400.2977
LMST03020037(24R,25S)-25,26-epoxy-1α,24-dihydroxy-
27-norvitamin D3 / (24R,25S)-25,26-
epoxy-1α,24-dihydroxy-27-
norcholecalciferol
(5Z,7E)-(1S,3R,24R,25S)-25,26-epoxy-27-
nor-9,10-seco-5,7,10(19)-
cholestatriene-1,3,24-triol
C26H40O4416.2927
LMST03020038(24S,25R)-25,26-epoxy-1α,24-dihydroxy-
27-norvitamin D3 / (24S,25R)-25,26-
epoxy-1α,24-dihydroxy-27-
norcholecalciferol
(5Z,7E)-(1S,3R,24S,25R)-25,26-epoxy-27-
nor-9,10-seco-5,7,10(19)-
cholestatriene-1,3,24-triol
C26H40O4416.2927
LMST030200391α,25-dihydroxy-24-oxo-22-oxavitamin
D3 / 1α,25-dihydroxy-24-oxo-22-
oxacholecalciferol
(5Z,7E)-(1S,3R)-1,3,25-trihydroxy-22-
oxa-9,10-seco-5,7,10(19)-cholestatrien-
24-one
C26H40O5432.2876
LMST0302004025-hydroxy-3-deoxy-2-oxavitamin D3 /
25-hydroxy-3-deoxy-2-oxacholecalciferol
(5Z,7E)-2-oxa-9,10-seco-5,7,10(19)-
cholestatrien-25-ol
C26H42O2386.3185
LMST030200411α,25-dihydroxy-3-deoxy-3-thiavitamin
D3 / 1α,25-dihydroxy-3-deoxy-3-
thiacholecalciferol
(5E,7E)-(1R)-9,10-seco-3-thia-5,7,
10(19)-cholestatriene-1,25-diol
C26H42O2S418.2906
LMST030200421β,25-dihydroxy-3-deoxy-3-thiavitamin
D3 / 1β,25-dihydroxy-3-deoxy-3-
thiacholecalciferol
(5Z,7E)-(1S)-9,10-seco-3-thia-5,7,
10(19)-cholestatriene-1,25-diol
C26H42O2S418.2906
LMST03020043(5Z)-1,25-dihydroxy-3-thiavitamin D3 /
(5Z)-1,25-dihydroxy-3-
thiacholecalciferol
(5Z,7E)-(1R)-9,10-seco-3-thia-5,7,
10(19)-cholestatriene-1,25-diol
C26H42O2S418.2906
LMST030200441α-hydroxy-22-oxavitamin D3 / 1α-
hydroxy-22-oxacholecalciferol
(5Z,7E)-(1S,3R)-22-oxa-9,10-seco-5,7,
10(19)-cholestatriene-1,3-diol
C26H42O3402.3134
LMST0302004525-hydroxy-23-oxavitamin D3 / 25-
hydroxy-23-oxacholecalciferol
(5Z,7E)-(3S)-23-oxa-9,10-seco-5,7,
10(19)-cholestatriene-3,25-diol
C26H42O3402.3134
LMST030200461α,25-dihydroxy-24-norvitamin D3 / 1α,
25-dihydroxy-24-norcholecalciferol
(5Z,7E)-(1S,3R)-24-nor-9,10-seco-5,7,
10(19)-cholestatriene-1,3,25-triol
C26H42O3402.3134
LMST030200471α,25-dihydroxy-19-norprevitamin D3 /
1α,25-dihydroxy-19-
norprecholecalciferol
(6Z)-(1S,3R)-19-nor-9,10-seco-5(10),6,
8-cholestatriene-1,3,25-triol
C26H42O3402.3134
LMST030200481α,25-dihydroxy-21-norvitamin D3 / 1α,
25-dihydroxy-21-norcholecalciferol
(5Z,7E)-(1S,3R)-21-nor-9,10-seco-5,7,
10(19)-cholestatriene-1,3,25-triol
C26H42O3402.3134
LMST030200491α,25-dihydroxy-3-deoxy-3-thiavitamin
D3 3-oxide / 1α,25-dihydroxy-3-deoxy-3-
thiacholecalciferol 3-oxide
(5E,7E)-(1R,3R)-1,25-dihydroxy-9,10-
seco-3-thia-5,7,10(19)-cholestatriene
3-oxide
C26H42O3S434.2855

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