|
LM_ID
|
Common Name
|
Systematic Name
|
Species Shorthand
|
Formula
|
Mass
|
|
LMST04070035
|
Homolithocholic acid
|
24-homo-3alpha-hydroxy-5beta-cholan-25-oic acid
|
ST 25:1;O3
|
C25H42O3
|
390.313396
|
|
LMST04020035
|
Dihomolithocholic acid
|
24-dihomo-3alpha-hydroxy-5beta-cholan-26-oic acid
|
ST 26:1;O3
|
C26H44O3
|
404.329046
|
|
LMST04050011
|
Dinorhyodeoxycholic acid
|
24-dinor-3alpha,6alpha-dihydroxy-5beta-cholan-22-oic acid
|
ST 22:1;O4
|
C22H36O4
|
364.261361
|
|
LMST04060024
|
Norhyodeoxycholic acid
|
24-nor-3alpha,6alpha-dihydroxy-5beta-cholan-23-oic acid
|
ST 23:1;O4
|
C23H38O4
|
378.277011
|
|
LMST04070036
|
Homohyodeoxycholic acid
|
24-homo-3alpha,6alpha-dihydroxy-5beta-cholan-25-oic acid
|
ST 25:1;O4
|
C25H42O4
|
406.308311
|
|
LMST04020036
|
Dihomohyodeoxycholic acid
|
24-dihomo-3alpha,6alpha-dihydroxy-5beta-cholan-26-oic acid
|
ST 26:1;O4
|
C26H44O4
|
420.323961
|
|
LMST04050012
|
Dinor-alpha-muricholic acid
|
24-dinor-3alpha,6beta,7alpha-trihydroxy-5beta-cholan-22-oic acid
|
ST 22:1;O5
|
C22H36O5
|
380.256276
|
|
LMST04060025
|
Nor-alpha-muricholic acid
|
24-nor-3alpha,6beta,7alpha-trihydroxy-5beta-cholan-23-oic acid
|
ST 23:1;O5
|
C23H38O5
|
394.271926
|
|
LMST04070037
|
Homo-alpha-muricholic acid
|
24-homo-3alpha,6beta,7alpha-trihydroxy-5beta-cholan-25-oic acid
|
ST 25:1;O5
|
C25H42O5
|
422.303226
|
|
LMST04020037
|
Dihomo-alpha-muricholic acid
|
24-dihomo-3alpha,6beta,7alpha-trihydroxy-5beta-cholan-26-oic acid
|
ST 26:1;O5
|
C26H44O5
|
436.318876
|
|
LMST04050013
|
Dinor-beta-muricholic acid
|
24-dinor-3alpha,6beta,7beta-trihydroxy-5beta-cholan-22-oic acid
|
ST 22:1;O5
|
C22H36O5
|
380.256276
|
|
LMST04060026
|
Nor-beta-muricholic acid
|
24-nor-3alpha,6beta,7beta-trihydroxy-5beta-cholan-23-oic acid
|
ST 23:1;O5
|
C23H38O5
|
394.271926
|
|
LMST04070038
|
Homo-beta-muricholic acid
|
24-homo-3alpha,6beta,7beta-trihydroxy-5beta-cholan-25-oic acid
|
ST 25:1;O5
|
C25H42O5
|
422.303226
|
|
LMST04020038
|
Dihomo-beta-muricholic acid
|
24-dihomo-3alpha,6beta,7beta-trihydroxy-5beta-cholan-26-oic acid
|
ST 26:1;O5
|
C26H44O5
|
436.318876
|
|
LMST04050014
|
Dinor-omega-muricholic acid
|
24-dinor-3alpha,6alpha,7beta-trihydroxy-5beta-cholan-22-oic acid
|
ST 22:1;O5
|
C22H36O5
|
380.256276
|
|
LMST04060027
|
Nor-omega-muricholic acid
|
24-nor-3alpha,6alpha,7beta-trihydroxy-5beta-cholan-23-oic acid
|
ST 23:1;O5
|
C23H38O5
|
394.271926
|
|
LMST04070039
|
Homo-omega-muricholic acid
|
24-homo-3alpha,6alpha,7beta-trihydroxy-5beta-cholan-25-oic acid
|
ST 25:1;O5
|
C25H42O5
|
422.303226
|
|
LMST04020039
|
Dihomo-omega-muricholic acid
|
24-dihomo-3alpha,6alpha,7beta-trihydroxy-5beta-cholan-26-oic acid
|
ST 26:1;O5
|
C26H44O5
|
436.318876
|
|
LMST04050015
|
Dinormurideoxycholic acid
|
24-dinor-3alpha,6beta-dihydroxy-5beta-cholan-22-oic acid
|
ST 22:1;O4
|
C22H36O4
|
364.261361
|
|
LMST04060028
|
Normurideoxycholic acid
|
24-nor-3alpha,6beta-dihydroxy-5beta-cholan-23-oic acid
|
ST 23:1;O4
|
C23H38O4
|
378.277011
|
|
LMST04070040
|
Homomurideoxycholic acid
|
24-homo-3alpha,6beta-dihydroxy-5beta-cholan-25-oic acid
|
ST 25:1;O4
|
C25H42O4
|
406.308311
|
|
LMST04020040
|
Dihomomurideoxycholic acid
|
24-dihomo-3alpha,6beta-dihydroxy-5beta-cholan-26-oic acid
|
ST 26:1;O4
|
C26H44O4
|
420.323961
|
|
LMST04050016
|
Dinoravicholic acid
|
24-dinor-3alpha,7alpha,16alpha-trihydroxy-5beta-cholan-22-oic acid
|
ST 22:1;O5
|
C22H36O5
|
380.256276
|
|
LMST04060029
|
Noravicholic acid
|
24-nor-3alpha,7alpha,16alpha-trihydroxy-5beta-cholan-23-oic acid
|
ST 23:1;O5
|
C23H38O5
|
394.271926
|
|
LMST04070041
|
Homoavicholic acid
|
24-homo-3alpha,7alpha,16alpha-trihydroxy-5beta-cholan-25-oic acid
|
ST 25:1;O5
|
C25H42O5
|
422.303226
|
|
LMST04020041
|
Dihomoavicholic acid
|
24-dihomo-3alpha,7alpha,16alpha-trihydroxy-5beta-cholan-26-oic acid
|
ST 26:1;O5
|
C26H44O5
|
436.318876
|
|
LMST04030229
|
(24E)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(24E)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholest-24-en-26-oyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
|
|
C48H78N7O20P3S
|
1197.423520
|
|
LMST04030230
|
(24R,25R)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(24R,25R)-3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
|
|
C48H80N7O21P3S
|
1215.434085
|
|
LMST04030231
|
(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
|
|
C48H80N7O20P3S
|
1199.439170
|
|
LMST04030232
|
(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[(25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
|
C48H80N7O19P3S
|
1183.444255
|
|
LMST04030233
|
(25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestanoyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-({3-oxo-3-[(2-{[(25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oyl]sulfanyl}ethyl)amino]propyl}amino)butyl] dihydrogen diphosphate}
|
|
C48H80N7O20P3S
|
1199.439170
|
|
LMST04030234
|
3 alpha,7 alpha,24-Trihydroxy-5beta-cholestanoyl-CoA
|
{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-2-[({[({3-[(2-{[2-({6-[(2S,5R,7S,9R,15R)-5,9-dihydroxy-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-14-yl]-3-hydroxy-2-methylheptanoyl}sulfanyl)ethyl]carbamoyl}ethyl)carbamoyl]-3-hydroxy-2,2-dimethylpropoxy}(hydroxy)phosphoryl)oxy](hydroxy)phosphoryl}oxy)methyl]-4-hydroxyoxolan-3-yl]oxy}phosphonic acid
|
|
C48H80N7O20P3S
|
1199.439170
|
|
LMST04030228
|
3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-3-hydroxy-2,2-dimethyl-4-oxo-4-{[3-oxo-3-({2-[(3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-oyl)sulfanyl]ethyl}amino)propyl]amino}butyl] dihydrogen diphosphate}
|
|
C48H80N7O21P3S
|
1215.434085
|
|
LMST04010457
|
3-oxo-cholyl-CoA
|
[5-(6-aminopurin-9-yl)-2-[[[[4-[[3-[2-[4-(7,12-dihydroxy-10,13-dimethyl-3-oxo-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl)pentanoylsulfanyl]ethylamino]-3-oxo-propyl]amino]-3-hydroxy-2,2-dimethyl-4-oxo-butoxy]-oxido-phosphoryl]oxy-oxido-phosphoryl]oxymethyl]-4-hydroxy-tetrahydrofuran-3-yl] phosphate
|
|
C45H72N7O20P3S
|
1155.376570
|
|
LMST04010456
|
deoxycholoyl-CoA
|
3'-phosphoadenosine 5'-{3-[(3R)-4-({3-[(2-{[3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl]sulfanyl}ethyl)amino]-3-oxopropyl}amino)-3-hydroxy-2,2-dimethyl-4-oxobutyl] dihydrogen diphosphate}
|
|
C45H74N7O19P3S
|
1141.397305
|
|
LMST05010055
|
11-beta-hydroxyandrosterone-3-glucuronide
|
(2S,3S,4S,5R,6R)-3,4,5-trihydroxy-6-{[(1S,2S,5R,7S,10S,11S,15S,17S)-17-hydroxy-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxy}oxane-2-carboxylic acid
|
ST 19:1;O3;GlcA
|
C25H38O9
|
482.251586
|
|
LMST05010056
|
17alpha-(N-acetyl-alpha-D-glucosaminyl)estradiol 3-glucuronoside
|
(17alpha)-17-[(2-acetamido-2-deoxy-alpha-D-glucopyranosyl)oxy]estra-1,3,5(10)-trien-3-yl beta-D-glucopyranosiduronic acid
|
|
C32H45NO13
|
651.289095
|
|
LMST05010062
|
Aldosterone 18-glucuronide
|
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-{[(2S,14R,16R)-2-(2-hydroxyacetyl)-14-methyl-11-oxo-17-oxapentacyclo[14.2.1.0^{1,5}.0^{6,15}.0^{9,14}]nonadec-9-en-18-yl]oxy}oxane-2-carboxylic acid
|
ST 21:4;O5;GlcA
|
C27H36O11
|
536.225766
|
|
LMST05010064
|
Dehydroisoandrosterone 3-glucuronide
|
|
ST 19:2;O2;GlcA
|
C25H36O8
|
464.241021
|
|
LMST05010066
|
Lithocholic acid 3-O-glucuronide
|
3alpha-(beta-D-glucopyranuronosyloxy)-5beta-cholan-24-oic acid
|
ST 24:1;O3;GlcA
|
C30H48O9
|
552.329836
|
|
LMST05010067
|
Tetrahydroaldosterone-3-glucuronide
|
(2S,3S,4R,5R,6R)-3,4,5-trihydroxy-6-{[(2S,14S,16S)-18-hydroxy-2-(2-hydroxyacetyl)-14-methyl-17-oxapentacyclo[14.2.1.0^{1,5}.0^{6,15}.0^{9,14}]nonadecan-11-yl]oxy}oxane-2-carboxylic acid
|
ST 21:2;O5;GlcA
|
C27H40O11
|
540.257066
|
|
LMST05050027
|
16,23-epoxy-5beta-cholestane triglycoside
|
(3beta,5beta,16beta,22R,23S)-22-hydroxy-16,23-epoxycholest-24-en-3-yl 6-deoxy-alpha-L-mannopyranosyl-(1->2)-beta-D-glucopyranosyl-(1->2)-beta-D-glucopyranoside
|
|
C45H74O17
|
886.492606
|
|
LMST05020040
|
2-hydroxyestrone sulfate
|
[(13S)-2-hydroxy-13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate
|
ST 18:4;O3;S
|
C18H22O6S
|
366.113711
|
|
LMST05020041
|
17-Beta-Estradiol-3,17-beta-sulfate
|
estra-1,3,5(10)-triene-3,17beta-diol 3,17-disulfate
|
|
C18H24O8S2
|
432.091262
|
|
LMST05020043
|
Epitestosterone sulfate
|
17alpha-hydroxyandrost-4-en-3-one 17-sulfate
|
ST 19:2;O2;S
|
C19H28O5S
|
368.165746
|
|
LMST05020044
|
Etiocholanolone sulfate
|
[(2S,5R,7R,15S)-2,15-dimethyl-14-oxotetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-5-yl]oxidanesulfonic acid
|
ST 19:1;O2;S
|
C19H30O5S
|
370.181396
|
|
LMST05040020
|
Taurolagocholate-3-sulfate
|
N-(3alpha,7alpha,12beta-Trihydroxy-5beta-cholan-24-oyl)-taurine 3-sulfate
|
|
C26H45NO10S2
|
595.248491
|
|
LMST01040238
|
8(14)-Stigmastenol
|
(3beta,5alpha,24R)-Stigmast-8(14)-en-3-ol
|
ST 29:1;O
|
C29H50O
|
414.386166
|
|
LMST01040239
|
Porifersta-7,25(27)-dienol
|
(3beta,5alpha,24S)-Stigmasta-7,25-dien-3-ol
|
ST 29:2;O
|
C29H48O
|
412.370516
|
|
LMST01040240
|
(3beta,5alpha,6beta,24R)-Stigmastane-3,5,6-triol
|
Stigmastane-3beta,5alpha,6beta-triol
|
ST 29:0;O3
|
C29H52O3
|
448.391646
|