|
LM_ID
|
Common Name
|
Systematic Name
|
Species Shorthand
|
Formula
|
Mass
|
|
LMST04070040
|
Homomurideoxycholic acid
|
24-homo-3alpha,6beta-dihydroxy-5beta-cholan-25-oic acid
|
ST 25:1;O4
|
C25H42O4
|
406.308310
|
|
LMST04020040
|
Dihomomurideoxycholic acid
|
24-dihomo-3alpha,6beta-dihydroxy-5beta-cholan-26-oic acid
|
ST 26:1;O4
|
C26H44O4
|
420.323960
|
|
LMST04050016
|
Dinoravicholic acid
|
24-dinor-3alpha,7alpha,16alpha-trihydroxy-5beta-cholan-22-oic acid
|
ST 22:1;O5
|
C22H36O5
|
380.256275
|
|
LMST04060029
|
Noravicholic acid
|
24-nor-3alpha,7alpha,16alpha-trihydroxy-5beta-cholan-23-oic acid
|
ST 23:1;O5
|
C23H38O5
|
394.271925
|
|
LMST04070041
|
Homoavicholic acid
|
24-homo-3alpha,7alpha,16alpha-trihydroxy-5beta-cholan-25-oic acid
|
ST 25:1;O5
|
C25H42O5
|
422.303225
|
|
LMST04020041
|
Dihomoavicholic acid
|
24-dihomo-3alpha,7alpha,16alpha-trihydroxy-5beta-cholan-26-oic acid
|
ST 26:1;O5
|
C26H44O5
|
436.318875
|
|
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
|
1197.423529
|
|
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
|
1215.434094
|
|
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
|
1199.439179
|
|
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
|
1183.444264
|
|
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
|
1199.439179
|
|
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
|
1199.439179
|
|
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
|
1215.434094
|
|
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
|
1155.376579
|
|
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
|
1141.397314
|
|
LMST04030223
|
(25S)-delta(1,7)-dafachronic acid
|
(5alpha,25S)-3-oxocholest-1,7-dien-26-oic acid
|
ST 27:4;O3
|
C27H40O3
|
412.297745
|
|
LMST04030224
|
3alpha-OH-Delta7-dafachronic acid
|
25S)3alpha-hydroxy-5alpha-cholest-7-en-26-oic acid
|
ST 27:2;O3
|
C27H44O3
|
416.329045
|
|
LMST04030225
|
3beta-OH-Delta7-dafachronic acid
|
25S-3beta-hydroxy-5alpha-cholest-7-en-26-oic acid
|
ST 27:2;O3
|
C27H44O3
|
416.329045
|
|
LMST04030226
|
|
(25S)-3-oxo-cholest-1,4-dien-26-sulfate
|
ST 27:3;O2;S
|
C27H42O5S
|
478.275297
|
|
LMST04030227
|
|
(25S)-3-oxo-cholest-1,4,22E-trien-26-sulfate
|
ST 27:4;O2;S
|
C27H40O5S
|
476.259647
|
|
LMST04010450
|
Petromylidene A
|
2-(E)-(3-methylbutylidene)-7alpha,12alpha,24-trihydroxy-5alpha-cholan-3-one-24-sulfate
|
ST 29:2;O4;S
|
C29H48O7S
|
540.312077
|
|
LMST04010451
|
E-Petromylidene B
|
2-(E)-benzylidene-7alpha,12alpha,24-trihydroxy-5alpha-cholan-3-one-24-sulfate
|
ST 31:6;O4;S
|
C31H44O7S
|
560.280777
|
|
LMST04010452
|
Z-Petromylidene B
|
2-(Z)-benzylidene-7alpha,12alpha,24-trihydroxy-5alpha-cholan-3-one-24-sulfate
|
ST 31:6;O4;S
|
C31H44O7S
|
560.280777
|
|
LMST04010453
|
Petromylidene C
|
2-(E)-ethylidene-7alpha,12alpha,24-trihydroxy-5alpha-cholan-3-one-24-sulfate
|
ST 26:2;O4;S
|
C26H42O7S
|
498.265127
|
|
LMST04010454
|
3-keto-petromyzonol sulfate
|
7alpha,12alpha,24-trihydroxy-5alpha-cholan-3-one-24-sulfate
|
ST 24:1;O4;S
|
C24H40O7S
|
472.249477
|
|
LMST04010455
|
3,12-diketo-4,6-petromyzonene-24-sulfate
|
3,12-Dioxochola-4,6-dien-24-sulfate
|
ST 24:4;O3;S
|
C24H34O6S
|
450.207612
|
|
LMST04050017
|
Bendigole D
|
24-dinor-3-oxo,7alpha,12alpha-dihydroxy-chola-1,4-dien-22-oic acid
|
ST 22:4;O5
|
C22H30O5
|
374.209325
|
|
LMST04060030
|
Bendigole E
|
24-nor-7alpha,12alpha-dihydroxy-cholest-1,4-dien-3,22-dione
|
ST 23:4;O4
|
C23H32O4
|
372.230060
|
|
LMST04060031
|
Bendigole B
|
24-nor-12alpha-hydroxy-cholest-1,4-dien-3,22-dione
|
ST 23:4;O3
|
C23H32O3
|
356.235145
|
|
LMST04050018
|
Bendigole A
|
24-dinor-3-oxo,12alpha-hydroxy-chola-1,4-dien-22-oic acid
|
ST 22:4;O4
|
C22H30O4
|
358.214410
|
|
LMST04010458
|
Bendigole C
|
12alpha,21-dihydroxy-3-oxochola-1,4-dien-24-oic Acid
|
ST 24:4;O5
|
C24H34O5
|
402.240625
|
|
LMST04030235
|
7beta-hydroxy-cholestenoic acid
|
3beta,7beta-dihydroxycholest-5-en-25R-26-oic acid
|
ST 27:2;O4
|
C27H44O4
|
432.323960
|
|
LMST04030236
|
7beta,24-dihydroxy-cholestenoic acid
|
3beta,7beta, 24-trihydroxycholest-5-en-25R-26-oic acid
|
ST 27:2;O5
|
C27H44O5
|
448.318875
|
|
LMST04030237
|
7beta,25-dihydroxy-cholestenoic acid
|
3beta,7beta, 25-trihydroxycholest-5-en-26-oic acid
|
ST 27:2;O5
|
C27H44O5
|
448.318875
|
|
LMST04030238
|
3beta,5alpha,6beta-Trihydroxycholestan-(25R)26-oic acid
|
3beta,5alpha,6beta-Trihydroxycholestan-(25R)26-oic acid
|
ST 27:1;O5
|
C27H46O5
|
450.334525
|
|
LMST04030239
|
3beta-hydroxy-7-oxocholest-5-en-(25R)26-oic acid
|
3beta-hydroxy-7-oxocholest-5-en-(25R)26-oic acid
|
ST 27:3;O4
|
C27H42O4
|
430.308310
|
|
LMST04030241
|
3beta,7alpha-Dihydroxy-5-cholestenoic acid
|
3beta,7alpha-Dihydroxycholest-5-en-25R(26)-oic acid
|
ST 27:2;O4
|
C27H44O4
|
432.323960
|
|
LMST04030242
|
7alpha-hydroxy-3-oxo-4-cholestenoic acid
|
7alpha-hydroxy-3-oxocholest-4-en-(25R)26-oic acid
|
ST 27:3;O4
|
C27H42O4
|
430.308310
|
|
LMST04030243
|
7alpha,12alpha-dihydroxy-3-oxo-4-cholestenoic acid
|
7alpha,12alpha-dihydroxy-3-oxocholest-4-en-(25R)26-oic acid
|
ST 27:3;O5
|
C27H42O5
|
446.303225
|
|
LMST04030244
|
3beta,5alpha,6beta,24R-Tetrahydroxycholestan-(25R)26-oyl CoA
|
3beta,5alpha,6beta,24R-Tetrahydroxycholestan-(25R)26-oyl CoA
|
|
C48H80N7O21P3S
|
1215.434094
|
|
LMST04010459
|
3beta,5alpha,6beta,trihydroxycholestan-24-oyl CoA
|
3beta,5alpha,6beta,trihydroxycholestan-24-oyl CoA
|
|
C45H74N7O20P3S
|
1157.392229
|
|
LMST04010460
|
3beta,7beta,dihydroxycholest-5-en-24-oyl CoA
|
3beta,7beta,dihydroxycholest-5-en-24-oyl CoA
|
|
C45H72N7O19P3S
|
1139.381664
|
|
LMST04030245
|
7alpha,12alpha-dihydroxy-3-oxo-5beta-cholestanoic acid
|
7alpha,12alpha-dihydroxy-3-oxo-5beta-cholestan-(25R)26-oic acid
|
ST 27:2;O5
|
C27H44O5
|
448.318875
|
|
LMST04030246
|
7alpha,12alpha,(25R)26-Trihydroxy-5beta-cholestan-3-one
|
7alpha,12alpha,(25R)26-Trihydroxy-5beta-cholestan-3-one
|
ST 27:1;O4
|
C27H46O4
|
434.339610
|
|
LMST04030247
|
7alpha,24S-Dihydroxy-3-oxocholest-4-en-26-oic acid
|
7alpha,24S-Dihydroxy-3-oxocholest-4-en-26-oic acid
|
ST 27:3;O5
|
C27H42O5
|
446.303225
|
|
LMST04030248
|
7alpha,12alpha,24,25-Tetrahydroxycholest-4-en-3-one
|
7alpha,12alpha,24,25-Tetrahydroxycholest-4-en-3-one
|
ST 27:2;O5
|
C27H44O5
|
448.318875
|
|
LMST04030249
|
7a,12a,25-Trihydroxycholest-4-en-3,24-dione
|
7a,12a,25-Trihydroxycholest-4-en-3,24-dione
|
ST 27:3;O5
|
C27H42O5
|
446.303225
|
|
LMST04030251
|
7alpha,24S-Dihydroxy-3-oxocholest-4-en-(25R)26-oyl CoA
|
7alpha,24S-Dihydroxy-3-oxocholest-4-en-(25R)26-oyl CoA
|
|
C48H76N7O20P3S
|
1195.407879
|
|
LMST04010462
|
3-Oxo-delta4-chenodeoxycholyl-CoA
|
7alpha-Hydroxy-3-oxochol-4-en-24-oyl CoA
|
|
C45H70N7O19P3S
|
1137.366014
|
|
LMST04030252
|
(25R)-7alpha-hydroxy-3-oxo-4-cholestenoyl CoA
|
7alpha-hydroxy-3-oxocholest-4-en-(25R)26-oyl CoA
|
|
C48H76N7O19P3S
|
1179.412964
|