Structure Database (LMSD)

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LMSD: Lipid classification search results

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C27 bile acids, alcohols, and derivatives [ST0403]

LM_ID Common Name Systematic Name Species Shorthand Formula Mass
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
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
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
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
LMST04030252 (25R)-7alpha-hydroxy-3-oxo-4-cholestenoyl CoA 7alpha-hydroxy-3-oxocholest-4-en-(25R)26-oyl CoA C48H76N7O19P3S 1179.412964
LMST04030253 (25S)-7alpha-hydroxy-3-oxo-4-cholestenoyl CoA 7alpha-hydroxy-3-oxocholest-4-en-(25S)26-oyl CoA C48H76N7O19P3S 1179.412964
LMST04030254 7alpha-Hydroxy-3,24-bisoxocholest-4-en-(25R)26-oyl-CoA C48H74N7O20P3S 1193.392229
LMST04030255 7alpha-hydroxy-3-oxo-4-cholestenoic acid 7alpha-Hydroxy-3,24-bisoxocholest-4-en-(25R)26-oyl-CoA ST 27:4;O5 C27H40O5 444.287575
LMST04030256 7alpha,24R-Dihydroxy-3-oxocholest-4-en-(25R)26-oyl-CoA C48H76N7O20P3S 1195.407879
LMST04030257 7alpha,24R-Dihydroxy-3-oxocholest-4-en-(25R)26-oic acid ST 27:3;O5 C27H42O5 446.303225
LMST04030258 7alpha-Hydroxy-3-oxocholest-4,24(E)-dien-26-oyl-CoA C48H74N7O19P3S 1177.397314
LMST04030259 7alpha,24S-dihydroxy-3-oxocholest-4-en-(25S)26-oyl-CoA C48H76N7O20P3S 1195.407879
LMST04030260 7alpha,24S-dihydroxy-3-oxocholest-4-en-(25S)26-oic acid ST 27:3;O5 C27H42O5 446.303225
LMST05040008 (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-27-oyl taurine ST 27:1;O3;Tau C29H51NO6S 541.343711
LMST05040007 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-27-oyl taurine ST 27:1;O4;Tau C29H51NO7S 557.338626
LMST05040006 (25R)-1beta,3alpha,7alpha-trihydroxy-5beta-cholestan-27-oyl taurine ST 27:1;O4;Tau C29H51NO7S 557.338626
LMST05010042 Cholestane-3,7,12,25-tetrol-3-glucuronide ST 27:0;O4;GlcA C33H56O10 612.387350
LMST05020066 Arapaimol B sulfate (25xi)-5beta-cholestan-2beta,3alpha,7alpha,12alpha,26,27-hexol 26-sulfate ST 27:0;O6;S C27H48O9S 548.301907
LMST04030261 3b,7b,24R-Trihydroxycholest-5-en-(25R)26-oyl-CoA C48H78N7O20P3S 1197.423529
LMST04030262 3b,24R-dihydroxy-7-oxo-cholest-5-en-(25R)26-oyl-CoA C48H76N7O20P3S 1195.407879
LMST04030263 7alpha,25-Dihydroxy-3-oxocholest -4-en-26-oic acid ST 27:3;O5 C27H42O5 446.303225
LMST04030264 Ecdysonic acid 6-oxo-2beta,3beta,14alpha,22R,25-pentahydroxy-5beta-cholest-7-en-26-oic acid ST 27:3;O8 C27H42O8 494.287970
LMST04030265 20-Hydroxyecdysonic acid 6-oxo-2beta,3beta,14alpha,20R,22R,25-hexahydroxy-5beta-cholest-7-en-26-oic acid ST 27:3;O9 C27H42O9 510.282885
LMST04030266 3beta,4beta-cholest-5-en-27-oic acid ST 27:2;O4 C27H44O4 432.323960
LMST05020004 5beta-Cyprinolsulfate 3alpha,7alpha,12alpha,26,27-pentahydroxy-5beta-cholestane 26-sulfate ST 27:0;O5;S C27H48O8S 532.306992
LMST05020060 Lamellosterol A 3alpha,7alpha,8beta-trihydroxy-5alpha-cholestane-26-sulfate ST 27:0;O4;S C27H48O7S 516.312077
LMST05020065 Sycosterol A 3alpha,7alpha,8beta,15beta,16alpha-pentahydroxy-5?-cholestane-26-sulfate ST 27:0;O6;S C27H48O9S 548.301907
LMST05020017 5beta-scymnol sulfate (24R)-3alpha,7alpha,12alpha,24,26-pentahydroxy-5beta-cholestan-27-yl hydrogen sulfate ST 27:0;O6;S C27H48O9S 548.301907