Structure Database (LMSD)

LM_ID Common Name Systematic Name Main class Sub class Mass Formula
LMST03020442 toxisterol3 B2 (5E,7E)-(3S,10S)-10-ethoxy-9,10-seco-5,7-cholestadien-3-ol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 430.38 C29H50O2
LMST03020226 toxisterol3 D1 (5Z)-(3S)-9,10-seco-5,8,10(19)-cholestatrien-3-ol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 384.34 C27H44O
LMST03020227 toxisterol3 E1 (3S,6R,9R)-9(10-6)abeo-5(10),7-cholestadien-3-ol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 384.34 C27H44O
LMST03020228 (3S,6S)-9,10-seco-5(10),6,7-cholestatrien-3-ol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 384.34 C27H44O
LMST03020689 3beta,23S,25-dihydroxyvitamin D3 Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 416.33 C27H44O3
LMST03020229 (3S,6R)-9,10-seco-5(10),6,7-cholestatrien-3-ol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 384.34 C27H44O
LMST03020252 (7E)-(3S,6R)-6-hydroperoxy-9,10-seco-4,7,10(19)-cholestatrien-3-ol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 416.33 C27H44O3
LMST03020253 (7E)-(3S,6S)-6-hydroperoxy-9,10-seco-4,7,10(19)-cholestatrien-3-ol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 416.33 C27H44O3
LMST03020230 (7E)-(3S,6S)-6,19-cyclo-9,10-seco-5(10),7-cholestadien-3-ol Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 384.34 C27H44O
LMST03020166 (6E)-(8S)-8,25-dihydroxy-9,10-seco-4,6,10(19)-cholestatrien-3-one Secosteroids [ST03] Vitamin D3 and derivatives [ST0302] 414.31 C27H42O3
LMST03030003 1,25-Dihydroxylumisterol(3) 24R-methyl-ergosta-5,7,22E-trien-1,3beta,25-triol Secosteroids [ST03] Vitamin D4 and derivatives [ST0303] 428.33 C28H44O3
LMST03030004 22-Hydroxy Vitamin D4 (3S,24R)-9,10-seco-5Z,7E,10(19)-ergostatrien-3,24-diol Secosteroids [ST03] Vitamin D4 and derivatives [ST0303] 414.35 C28H46O2
LMST03030005 3-epi-5,6-trans-25-Hydroxyvitamin D3 (5E,7Z)-(3R)-9,10-seco-5,7,10(19)-cholestatriene-3,25-diol Secosteroids [ST03] Vitamin D4 and derivatives [ST0303] 400.33 C27H44O2
LMST03030001 Vitamin D4 (3S)-9,10-seco-5Z,7E,10(19)-ergostatrien-3-ol Secosteroids [ST03] Vitamin D4 and derivatives [ST0303] 398.35 C28H46O
LMST03040004 1-Hydroxyvitamin D5 (5Z,7E)-(1S,3R)-9,10-seco-5,7,10(19)-poriferastatrien-1,3-diol Secosteroids [ST03] Vitamin D5 and derivatives [ST0304] 428.37 C29H48O2
LMST03040003 Provitamin D5 Poriferasta-5,7-dien-3beta-ol Secosteroids [ST03] Vitamin D5 and derivatives [ST0304] 412.37 C29H48O
LMST03040005 Subergorgiaol E 9,10-seco-1,3,5(10)-stigmastatrien-3,8beta,9alpha-triol Secosteroids [ST03] Vitamin D5 and derivatives [ST0304] 444.36 C29H48O3
LMST03040006 Subergorgiaol G 9,10-seco-1,3,5(10),24(28)-stigmastatetraen-3,8beta,9alpha-triol Secosteroids [ST03] Vitamin D5 and derivatives [ST0304] 442.34 C29H46O3
LMST03040002 Vitamin D5 (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-poriferastatrien-3-ol Secosteroids [ST03] Vitamin D5 and derivatives [ST0304] 412.37 C29H48O
LMST03050002 Provitamin D6 Poriferasta-5,7,22E-trien-3beta-ol Secosteroids [ST03] Vitamin D6 and derivatives [ST0305] 410.35 C29H46O
LMST03050003 Subergorgiaol F 9,10-seco-1,3,5(10),22E-stigmastatetraen-3,8beta,9alpha-triol Secosteroids [ST03] Vitamin D6 and derivatives [ST0305] 442.34 C29H46O3
LMST03050001 Vitamin D6 (5Z,7E,22E)-(3S)-9,10-seco-5,7,10(19),22-poriferastatetraen-3-ol Secosteroids [ST03] Vitamin D6 and derivatives [ST0305] 410.35 C29H46O
LMST03060003 Carcinomedin (5Z,7E)-(3R)-1-oxo-9,10-seco-5,7,10(19)-campestatrien-3-ol Secosteroids [ST03] Vitamin D7 and derivatives [ST0306] 428.33 C28H44O3
LMST03060004 KH 1049 (5E,7E)-(1S,3R,20R)-22-oxa-24a,24b-dihomo-9,10-seco-5,7,10(19)-cholestatriene-1,3,25-triol Secosteroids [ST03] Vitamin D7 and derivatives [ST0306] 446.34 C28H46O4
LMST03060002 Provitamin D7 Campesta-5,7-dien-3beta-ol Secosteroids [ST03] Vitamin D7 and derivatives [ST0306] 398.35 C28H46O
LMST03060005 Subergorgiaol C 9,10-seco-1,3,5(10)-campestatrien-3,8beta,9alpha-triol Secosteroids [ST03] Vitamin D7 and derivatives [ST0306] 430.34 C28H46O3
LMST03060006 Subergorgiaol L 3,8beta-dihydroxy-9,10-seco-1,3,5(10),22E-campestatrien-9-one Secosteroids [ST03] Vitamin D7 and derivatives [ST0306] 426.31 C28H42O3
LMST03060001 Vitamin D7 (5Z,7E)-(3S)-9,10-seco-5,7,10(19)-campestatrien-3-ol Secosteroids [ST03] Vitamin D7 and derivatives [ST0306] 398.35 C28H46O
LMST04010176 12-Ketochenodeoxycholic acid 3alpha,7alpha-Dihydroxy-12-oxo-5beta-cholan-24-oic Acid Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 406.27 C24H38O5
LMST04010155 12-Ketolithocholic acid 3alpha-Hydroxy-12-oxo-5beta-cholan-24-oic Acid Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 390.28 C24H38O4
LMST04010479 15alpha-glucosyl-lithocholic Acid 3alpha-hydroxy-15alpha-O-beta-D-glucopyranosyloxy-5beta-cholan-24-oic acid Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 554.35 C30H50O9
LMST04010455 3,12-diketo-4,6-petromyzonene-24-sulfate 3,12-Dioxochola-4,6-dien-24-sulfate Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 450.21 C24H34O6S
LMST04010462 3-Oxo-delta4-chenodeoxycholyl-CoA 7alpha-Hydroxy-3-oxochol-4-en-24-oyl CoA Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 1137.37 C45H70N7O19P3S
LMST04010161 3-Oxochenodeoxycholic Acid 7alpha-Hydroxy-3-oxo-5beta-cholan-24-oic Acid Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 390.28 C24H38O4
LMST04010443 3-Oxocholic acid 3-oxo-7alpha,12alpha-dihydroxy-5beta-cholan-24-oic Acid Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 406.27 C24H38O5
LMST04010049 3-deoxy Cholic Acid 7alpha,12alpha-Dihydroxy-5beta-cholan-24-oic Acid Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 392.29 C24H40O4
LMST04010454 3-keto-petromyzonol sulfate 7alpha,12alpha,24-trihydroxy-5alpha-cholan-3-one-24-sulfate Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 472.25 C24H40O7S
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 Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 1155.38 C45H72N7O20P3S
LMST04010459 3beta,5alpha,6beta,trihydroxycholestan-24-oyl CoA 3beta,5alpha,6beta,trihydroxycholestan-24-oyl CoA Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 1157.39 C45H74N7O20P3S
LMST04010339 3beta,5alpha,6beta-Trihydroxycholanic Acid 3beta,5alpha,6beta-Trihydroxycholan-24-oic Acid Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 408.29 C24H40O5
LMST04010460 3beta,7beta,dihydroxycholest-5-en-24-oyl CoA 3beta,7beta,dihydroxycholest-5-en-24-oyl CoA Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 1139.38 C45H72N7O19P3S
LMST04010002 5alpha-Cholanoic acid 5alpha-Cholan-24-oic Acid Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 360.3 C24H40O2
LMST04010441 5beta-Cholanoic acid 5beta-Cholan-24-oic Acid Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 360.3 C24H40O2
LMST04010474 6,7-Diketolithocholic acid 3alpha-hydroxy-6,7-dioxo-5beta-cholan-24-oic acid Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 404.26 C24H36O5
LMST04010146 6-Ketolithocholic acid 3alpha-Hydroxy-6-oxo-5beta-cholan-24-oic Acid Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 390.28 C24H38O4
LMST04010192 7,12-Diketolithocholic acid 3alpha-Hydroxy-7,12-dioxo-5beta-cholan-24-oic Acid Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 404.26 C24H36O5
LMST04010184 7-Ketodeoxycholic acid 3alpha,12alpha-Dihydroxy-7-oxo-5beta-cholan-24-oic Acid Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 406.27 C24H38O5
LMST04010150 7-oxolithocholic acid 3alpha-Hydroxy-7-oxo-5beta-cholan-24-oic Acid Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 390.28 C24H38O4
LMST04010449 Alloavicholic acid 3alpha,7alpha,16alpha-trihydroxy-5alpha-cholan-24-oic Acid Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 408.29 C24H40O5
LMST04010036 Allochenodeoxycholic acid 3alpha,7alpha-Dihydroxy-5alpha-cholan-24-oic Acid Bile acids and derivatives [ST04] C24 bile acids, alcohols, and derivatives [ST0401] 392.29 C24H40O4