Structure Database (LMSD)

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LMSD: Lipid classification search results

Bile acids and derivatives [ST04]

LM_ID Common Name Systematic Name Species Shorthand Formula Mass
LMST04010464 Dendronesterone E methyl 3-oxo,11alpha-hydroxy-chola-1,4,22E-triene-24-oate ST 25:5;O4 C25H34O4 398.245710
LMST04010465 Petasitosterone A methyl 3-oxo-12alpha-hydroxy-chola-1,4,22E-triene-24-oate ST 25:5;O4 C25H34O4 398.245710
LMST04010466 Petasitosterone B methyl 3-oxo-12alpha-acetoxy-chola-1,4,22E-triene-24-oate ST 27:6;O5 C27H36O5 440.256275
LMST04040010 Sinubrasone A (26R)-22R-(beta-D-xylopyranosyloxy) methyl 3-oxo-24S-methyl-chola-1,4-diene-26-oate C34H52O8 588.366220
LMST04040011 Sinubrasone B ST 30:5;O5 C30H44O5 484.318875
LMST04040012 Sinubrasone C (26S)-Methyl 3-oxo-22R,23R-epoxy-24R-methyl-chola-1,4-diene-26-oate ST 29:5;O4 C29H42O4 454.308310
LMST04050019 Sinubrasone D methyl 24-dinor-3-oxo-chola-1,4-dien-22-oate ST 23:4;O3 C23H32O3 356.235145
LMST05040023 N-methyltaurocholic acid 3α,7α,12α-trihydroxy-5β-cholan-24-oyl-N-methyltaurine C27H47NO7S 529.307326
LMST05040024 N-methyltaurodeoxycholic acid 3α,12α-dihydroxy-5β-cholan-24-oyl-N-methyltaurine C27H47NO6S 513.312411
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
LMST04010472 BA-delta5-3beta,7beta-diol,7betaGlcNAc,24T 3beta-hydroxy-7beta-N-acetylglucosaminylchol-5-en-24-oyltaurine C33H54N2O12S 702.339750
LMST04010471 BA-delta5-3beta,7beta-diol 7betaGlcNAc,24G 3beta-hydroxy-7beta-N-acetylglucosaminylchol-5-en-24-oylglycine C33H52N2O11 652.357113
LMST04010470 BA-delta5-3beta,7beta-diol 3betaS,7betaGlcNAc,24G 3beta-Sulfooxy-7beta-N-acetylglucosaminylchol-5-en-24-oylglycine C33H52N2O14S 732.313930
LMST04010469 BA-delta5-3beta,7beta-diol 3betaS,7betaGlcNAc,24T 3beta-Sulfooxy-7beta-N-acetylglucosaminylchol-5-en-24-oyltaurine C33H54N2O15S2 782.296567
LMST04010467 BA-delta5-3beta,7beta-diol 7betaGlcNAc 3beta-Hydroxy-7beta-N-acetylglucosaminylchol-5-en-24-oic acid C31H49NO10 595.335649
LMST04010468 BA-delta5-3beta,7beta-diol 3betaS,7betaGlcNAc 3beta-Sulfooxy-7beta-N-acetylglucosaminylchol-5-en-24-oic acid C31H49NO13S 675.292466
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
LMST05030021 Glycohyocholic acid N-(3alpha,6alpha,7alpha-Trihydroxy-5beta-cholan-24-oyl)-glycine ST 24:1;O4;Gly C26H43NO6 465.309039
LMST05050051 SNAG-delta5-CA 3beta-sulfooxy-7beta-N-acetylglucosaminyl-5-cholen-24-oic acid C32H51NO12S 673.313201
LMST05050052 SNAG-delta5-CG 3beta-sulfooxy-7beta-N-acetylglucosaminyl-5-cholen-24-oyl glycine C34H54N2O13S 730.334665
LMST05050053 SNAG-delta5-CT 3beta-sulfooxy-7beta-N-acetylglucosaminyl-5-cholen-24-oyl taurine C34H56N2O14S2 780.317302
LMST05050056 Phenylalanocholic Acid N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)-L-phenylalanine ST 24:1:O4;Phe C33H49NO6 555.355989
LMST05050057 Tyrosocholic Acid N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)-L-tyrosine ST 24:1:O4;Tyr C33H49NO7 571.350904
LMST05050058 Leucocholic Acid N-(3alpha,7alpha,12alpha-trihydroxy-5beta-cholan-24-oyl)-L-leucine ST 24:1:O4;Leu C30H51NO6 521.371639
LMST05040025 tauro-delta-22-beta-muricholic acid N-(3alpha,6beta,7beta-Trihydroxy-5beta-22-cholen-24-oyl)-taurine ST 24:2;O4;Tau C26H43NO7S 513.276026
LMST04010473 Tauro-omega-muricholic acid N-(3alpha,6alpha,7beta-Trihydroxy-5beta-cholan-24-oyl)-taurine ST 24:1;O4;Tau C26H45NO7S 515.291676
LMST05030006 glycodeoxycholic acid N-(3alpha,12alpha-dihydroxy-5beta-cholan-24-oyl)glycine ST 24:1;O3;Gly C26H43NO5 449.314124
LMST04010474 6,7-Diketolithocholic acid 3alpha-hydroxy-6,7-dioxo-5beta-cholan-24-oic acid ST 24:3;O5 C24H36O5 404.256275
LMST05030022 Glycodehydrocholic acid N-(3,7,12-trioxo-5beta-cholan-24-oyl)-glycine ST 24:4;O4;Gly C26H37NO6 459.262089
LMST05040026 Taurodehydrocholic acid N-(3,7,12-trioxo-5beta-cholan-24-oyl)-taurine ST 24:4;O4;Tau C26H39NO7S 509.244726
LMST05030023 Glycohyodeoxycholic acid N-(3alpha,6alpha-Dihydroxy-5beta-cholan-24-oyl)-glycine ST 24:1;O3;Gly C26H43NO5 449.314124
LMST05040027 Tauro-alpha-muricholic acid N-(3alpha,6beta,7alpha-Trihydroxy-5beta-cholan-24-oyl)-taurine ST 24:1;O4;Tau C26H45NO7S 515.291676
LMST05040028 Taurohyodeoxycholic acid N-(3alpha,6alpha-Dihydroxy-5beta-cholan-24-oyl)-taurine ST 24:1;O3;Tau C26H45NO6S 499.296761
LMST04050020 Turranin C Methyl 3beta-hydroxy-23-bisnor-5alpha-chol-6,13-dien-22-oate ST 23:3;O3 C23H34O3 358.250795
LMST04050021 Turranin D Methyl 3beta-hydroxy-23-bisnor-5alpha-chol-7-en-22-oate ST 23:2;O3 C23H36O3 360.266445
LMST05020038 3-Sulfodeoxycholic acid 3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid 3-sulfate ST 24:1;O4;S C24H40O7S 472.249477
LMST05020004 5beta-Cyprinolsulfate 3alpha,7alpha,12alpha,26,27-pentahydroxy-5beta-cholestane 26-sulfate ST 27:0;O5;S C27H48O8S 532.306992
LMST05020015 lithocholic acid sulfate 3alpha-sulfooxy-5beta-cholan-24-oic acid ST 24:1;O3;S C24H40O6S 456.254562
LMST05020033 Ursodeoxycholic acid 3-sulfate 3a,7beta-Dihydroxy-5beta-cholan-24-oic acid 3-sulfate ST 24:1;O4;S C24H40O7S 472.249477
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
LMST05020027 Deoxycholic acid disulfate 3alpha,12alpha-Dihydroxy-5beta-cholan-24-oic acid 3,12-disulfate C24H40O10S2 552.206294
LMST05020026 Chenodeoxycholic acid sulfate 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic acid 7-sulfate ST 24:1;O4;S C24H40O7S 472.249477
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
LMST05020025 Chenodeoxycholic acid disulfate 3alpha,7alpha-Dihydroxy-5beta-cholan-24-oic acid 3,7-disulfate C24H40O10S2 552.206294