Structure Database (LMSD)

LM_ID Common Name Systematic Name Main class Sub class Mass Formula
LMST04030197 (25R)-3alpha,7alpha,12alpha,24S-tetrahydroxy-5beta-cholestan-26-oic acid (25R)-3alpha,7alpha,12alpha,24S-tetrahydroxy-5beta-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 466.33 C27H46O6
LMST04030181 (25R)-3alpha,7alpha,12alpha-trihydroxy-5alpha-cholestan-26-oic acid (25R)-3alpha,7alpha,12alpha-trihydroxy-5alpha-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 450.33 C27H46O5
LMST04030161 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-al Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 434.34 C27H46O4
LMST04030151 (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid (25R)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 450.33 C27H46O5
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} Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 1199.44 C48H80N7O20P3S
LMST04030183 (25R)-3alpha,7alpha,24-trihydroxy-5alpha-cholestan-26-oic acid (25R)-3alpha,7alpha,24-trihydroxy-5alpha-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 450.33 C27H46O5
LMST04030153 (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid (25R)-3alpha,7alpha-dihydroxy-5beta-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 434.34 C27H46O4
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} Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 1183.44 C48H80N7O19P3S
LMST04030160 (25R)-5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol (25R)-5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 436.36 C27H48O4
LMST04030252 (25R)-7alpha-hydroxy-3-oxo-4-cholestenoyl CoA 7alpha-hydroxy-3-oxocholest-4-en-(25R)26-oyl CoA Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 1179.41 C48H76N7O19P3S
LMST04030217 (25R)-Delta(4)-dafachronic acid (25R)-3-oxocholest-4-en-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 414.31 C27H42O3
LMST04030218 (25R)-Delta(7)-dafachronic acid (5alpha,25R)-3-oxocholest-7-en-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 414.31 C27H42O3
LMST04030190 (25S)-2beta,3alpha,7alpha,12alpha-tetrahydroxy-5beta-cholestan-26-oic acid (25S)-2beta,3alpha,7alpha,12alpha-tetrahydroxy-5beta-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 466.33 C27H46O6
LMST04030194 (25S)-3alpha,7alpha,12alpha,24R-tetrahydroxy-5beta-cholestan-26-oic acid (25S)-3alpha,7alpha,12alpha,24R-tetrahydroxy-5beta-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 466.33 C27H46O6
LMST04030196 (25S)-3alpha,7alpha,12alpha,24S-tetrahydroxy-5beta-cholestan-26-oic acid (25S)-3alpha,7alpha,12alpha,24S-tetrahydroxy-5beta-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 466.33 C27H46O6
LMST04030182 (25S)-3alpha,7alpha,12alpha-trihydroxy-5alpha-cholestan-26-oic acid (25S)-3alpha,7alpha,12alpha-trihydroxy-5alpha-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 450.33 C27H46O5
LMST04030152 (25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid (25S)-3alpha,7alpha,12alpha-trihydroxy-5beta-cholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 450.33 C27H46O5
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} Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 1199.44 C48H80N7O20P3S
LMST04030159 (25S)-5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol (25S)-5beta-cholestane-3alpha,7alpha,12alpha,26-tetrol Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 436.36 C27H48O4
LMST04030253 (25S)-7alpha-hydroxy-3-oxo-4-cholestenoyl CoA 7alpha-hydroxy-3-oxocholest-4-en-(25S)26-oyl CoA Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 1179.41 C48H76N7O19P3S
LMST04030221 (25S)-Delta(4)-dafachronic acid (25S)-3-oxocholest-4-en-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 414.31 C27H42O3
LMST04030222 (25S)-Delta(7)-dafachronic acid (25S)-3-oxocholest-7-en-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 414.31 C27H42O3
LMST04030219 (25S)-cholestenoic acid (25S)-3beta-hydroxycholest-5-en-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 416.33 C27H44O3
LMST04030220 (25S)-dafachronic acid (5alpha,25S)-3-oxocholestan-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 416.33 C27H44O3
LMST04030223 (25S)-delta(1,7)-dafachronic acid (5alpha,25S)-3-oxocholest-1,7-dien-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 412.3 C27H40O3
LMST04030011 16-Deoxymyxinol 5alpha-Cholestane-3beta,7alpha,26-triol Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 420.36 C27H48O3
LMST04030179 16alpha,27-dihydroxycholesterol (25R)-cholest-5-en-3beta,16alpha,27-triol Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 418.34 C27H46O3
LMST04030265 20-Hydroxyecdysonic acid 6-oxo-2beta,3beta,14alpha,20R,22R,25-hexahydroxy-5beta-cholest-7-en-26-oic acid Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 510.28 C27H42O9
LMST04030008 27-Deoxy-5alpha-Cyprinol 5alpha-Cholestane-3alpha,7alpha,12alpha,26-tetrol Bile acids and derivatives [ST04] C27 bile acids, alcohols, and derivatives [ST0403] 436.36 C27H48O4
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