Structure Database (LMSD)

LM_ID Common Name Systematic Name Main class Sub class Mass Formula
LMST04030014 27-Deoxy-5beta-cyprinol 5beta-Cholestane-3alpha,7alpha,12alpha,26-tetrol Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 436.36 C27H48O4
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 Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 1199.44 C48H80N7O20P3S
LMST04030203 3alpha,12alpha,22S-Trihydroxy-5beta-cholestan-26-oic acid 3alpha,12alpha,22S-Trihydroxy-5beta-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 450.33 C27H46O5
LMST04030204 3alpha,12alpha,24R-Trihydroxy-5beta-cholestan-26-oic acid 3alpha,12alpha,24R-Trihydroxy-5beta-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 450.33 C27H46O5
LMST04030211 3alpha,15alpha-dihydroxy-5beta-cholan-24-oic acid 3alpha,15alpha-dihydroxy-5beta-cholan-24-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 392.29 C24H40O4
LMST04030210 3alpha,7alpha,12alpha,16alpha-Tetrahydroxy-5beta-cholestan-26-oic acid 3alpha,7alpha,12alpha,16alpha-Tetrahydroxy-5beta-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 466.33 C27H46O6
LMST04030193 3alpha,7alpha,12alpha,22S-tetrahydroxy-5beta-cholestan-26-oic acid 3alpha,7alpha,12alpha,22S-tetrahydroxy-5beta-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 466.33 C27H46O6
LMST04030212 3alpha,7alpha,12alpha,23R-tetrahydroxy-5beta-cholan-24-oic acid 3alpha,7alpha,12alpha,23R-tetrahydroxy-5beta-cholan-24-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 424.28 C24H40O6
LMST04030155 3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-al 3alpha,7alpha,12alpha,24-tetrahydroxy-5beta-cholestan-26-al Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 450.33 C27H46O5
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} Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 1215.43 C48H80N7O21P3S
LMST04030200 3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholest-23E-en-27-oic acid 3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-23E-cholestan-27-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 464.31 C27H44O6
LMST04030198 3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestan-27-oic acid 3alpha,7alpha,12alpha,26-Tetrahydroxy-5beta-cholestan-27-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 466.33 C27H46O6
LMST04030185 3alpha,7alpha,12alpha,26-tetrahydroxy-5alpha-cholestan-27-oic acid 3alpha,7alpha,12alpha,26-tetrahydroxy-5alpha-cholestan-27-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 466.33 C27H46O6
LMST04030199 3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholestan-26-oic acid 3alpha,7alpha,12alpha-Trihydroxy-5beta-23E-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 434.3 C26H42O5
LMST04030201 3alpha,7alpha,12alpha-Trihydroxy-5beta-24Z-cholesten-26-oic acid 3alpha,7alpha,12alpha-Trihydroxy-5beta-24Z-cholesten-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 448.32 C27H44O5
LMST04030186 3alpha,7alpha,12alpha-trihydroxy-5alpha-23E-cholesten-26-oic acid 3alpha,7alpha,12alpha-trihydroxy-5alpha-23E-cholesten-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 448.32 C27H44O5
LMST04030164 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al 3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 434.34 C27H46O4
LMST04030134 3alpha,7alpha,12alpha-trihydroxycholestane 5alpha-Cholestane-3alpha,7alpha,12alpha-triol Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 420.36 C27H48O3
LMST04030207 3alpha,7alpha,15alpha,22S-Tetrahydroxy-5beta-cholestan-26-oic acid 3alpha,7alpha,15alpha,22S-Tetrahydroxy-5beta-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 466.33 C27H46O6
LMST04030205 3alpha,7alpha,15alpha-Trihydroxy-5beta-cholestan-26-oic acid 3alpha,7alpha,15alpha-Trihydroxy-5beta-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 450.33 C27H46O5
LMST04030208 3alpha,7alpha,16alpha,22S-Tetrahydroxy-5beta-cholestan-26-oic acid 3alpha,7alpha,16alpha,22S-Tetrahydroxy-5beta-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 466.33 C27H46O6
LMST04030209 3alpha,7alpha,16alpha,24R-Tetrahydroxy-5beta-cholestan-26-oic acid 3alpha,7alpha,16alpha,24R-Tetrahydroxy-5beta-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 466.33 C27H46O6
LMST04030206 3alpha,7alpha,16alpha-Trihydroxy-5beta-cholestan-26-oic acid 3alpha,7alpha,16alpha-Trihydroxy-5beta-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 450.33 C27H46O5
LMST04030184 3alpha,7alpha,22S-trihydroxy-5alpha-cholestan-26-oic acid 3alpha,7alpha,22S-trihydroxy-5alpha-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 466.33 C27H46O6
LMST04030187 3alpha,7alpha,24-trihydroxy-5alpha-cholestan-26-oic acid 3alpha,7alpha,24-trihydroxy-5alpha-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 450.33 C27H46O5
LMST04030154 3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-al 3alpha,7alpha,24-trihydroxy-5beta-cholestan-26-al Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 434.34 C27H46O4
LMST04030162 3alpha,7alpha-dihydroxy-5beta-cholestan-26-al 3alpha,7alpha-dihydroxy-5beta-cholestan-26-al Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 418.34 C27H46O3
LMST04030202 3alpha,7beta,12alpha-Trihydroxy-5beta-cholestan-26-oic acid 3alpha,7beta,12alpha-Trihydroxy-5beta-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 450.33 C27H46O5
LMST04030224 3alpha-OH-Delta7-dafachronic acid 25S)3alpha-hydroxy-5alpha-cholest-7-en-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 416.33 C27H44O3
LMST04030180 3beta,27-dihydroxy-5-cholesten-7-one (25R)-7-oxo-cholest-5-en-3beta,27-diol Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 416.33 C27H44O3
LMST04030244 3beta,5alpha,6beta,24R-Tetrahydroxycholestan-(25R)26-oyl CoA 3beta,5alpha,6beta,24R-Tetrahydroxycholestan-(25R)26-oyl CoA Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 1215.43 C48H80N7O21P3S
LMST04030238 3beta,5alpha,6beta-Trihydroxycholestan-(25R)26-oic acid 3beta,5alpha,6beta-Trihydroxycholestan-(25R)26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 450.33 C27H46O5
LMST04030241 3beta,7alpha-Dihydroxy-5-cholestenoic acid 3beta,7alpha-Dihydroxycholest-5-en-25R(26)-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 432.32 C27H44O4
LMST04030148 3beta,7alpha-dihydroxycholest-5-en-27-oic acid 3beta,7alpha-dihydroxycholest-5-en-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 432.32 C27H44O4
LMST04030225 3beta-OH-Delta7-dafachronic acid 25S-3beta-hydroxy-5alpha-cholest-7-en-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 416.33 C27H44O3
LMST04030239 3beta-hydroxy-7-oxocholest-5-en-(25R)26-oic acid 3beta-hydroxy-7-oxocholest-5-en-(25R)26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 430.31 C27H42O4
LMST04030015 5-alpha-Bufol 5alpha-Cholestane-3alpha,7alpha,12alpha,25,26-pentol Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 452.35 C27H48O5
LMST04030019 5alpha-Cyprinol 5alpha-Cholestane-3alpha,7alpha,12alpha,26,27-pentol Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 452.35 C27H48O5
LMST04030006 5alpha-Dermophol 5alpha-Cholestane-3alpha,7alpha,12alpha,25,26,27-hexol Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 468.35 C27H48O6
LMST04030041 5beta-Cyprinol 5beta-Cholestane-3alpha,7alpha,12alpha,26,27-pentol Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 452.35 C27H48O5
LMST04030007 5beta-Dermophol 5beta-Cholestane-3alpha,7alpha,12alpha,25,26,27-hexol Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 468.35 C27H48O6
LMST04030016 5beta-bufol 5beta-Cholestane-3alpha,7alpha,12alpha,25,26-pentol Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 452.35 C27H48O5
LMST04030173 5beta-scymnol (24R)-5beta-cholestane-3alpha,7alpha,12alpha,24,26,27-hexol Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 468.35 C27H48O6
LMST04030249 7a,12a,25-Trihydroxycholest-4-en-3,24-dione 7a,12a,25-Trihydroxycholest-4-en-3,24-dione Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 446.3 C27H42O5
LMST04030246 7alpha,12alpha,(25R)26-Trihydroxy-5beta-cholestan-3-one 7alpha,12alpha,(25R)26-Trihydroxy-5beta-cholestan-3-one Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 434.34 C27H46O4
LMST04030248 7alpha,12alpha,24,25-Tetrahydroxycholest-4-en-3-one 7alpha,12alpha,24,25-Tetrahydroxycholest-4-en-3-one Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 448.32 C27H44O5
LMST04030172 7alpha,12alpha,24-trihydroxy-5beta-cholestan-3-one 7alpha,12alpha,24-trihydroxy-5beta-cholestan-3-one Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 434.34 C27H46O4
LMST04030171 7alpha,12alpha,24-trihydroxycholest-4-en-3-one 7alpha,12alpha,24-trihydroxycholest-4-en-3-one Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 432.32 C27H44O4
LMST04030158 7alpha,12alpha,26-trihydroxycholest-4-en-3-one 7alpha,12alpha,26-trihydroxycholest-4-en-3-one Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 432.32 C27H44O4
LMST04030243 7alpha,12alpha-dihydroxy-3-oxo-4-cholestenoic acid 7alpha,12alpha-dihydroxy-3-oxocholest-4-en-(25R)26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 446.3 C27H42O5