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Biochemicals

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  1. Linolenic acid, Agonist of FFA1 receptor;Agonist of FFA4 receptor
    Cas Number: 463-40-1        EC Number: MFCD00065720
    Formula:  C18H30O2        Molecular Weight: 278.44
    IUPAC Name:  (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
    SMILES:  CCC=CCC=CCC=CCCCCCCCC(=O)O
    InChIKey: DTOSIQBPPRVQHS-PDBXOOCHSA-N
    InChI:  InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
    Synonyms: cis,cis,cis-9,12,15-Octadecatrienoic acid | (Z,Z,Z)-9,12,15-Octadecatrienoic acid | linolenate | linolenic acid | CAS...
  2. Lovastatin, HMG-CoA reductase inhibitor
    Cas Number: 75330-75-5
    Formula:  C24H36O5        Molecular Weight: 404.54
    IUPAC Name:  [(1S,3R,7S,8S,8aR)-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-3,7-dimethyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate
    SMILES:  CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)C
    InChIKey: PCZOHLXUXFIOCF-BXMDZJJMSA-N
    InChI:  InChI=1S/C24H36O5/c1-5-15(3)24(27)29-21-11-14(2)10-17-7-6-16(4)20(23(17)21)9-8-19-12-18(25)13-22(26)28-19/h6-7,10,14-16,18-21,23,25H,5,8-9,11-13H2,1-4show more
    Synonyms: 1,2,6,7,8,8a-Hexahydro-beta,delta-dihydroxy-2,6-dimethyl-8-(2-methyl-1-oxobutyoxy)-1-naphthaleneheptanoic acid delta-...
  3. Linolenic acid, Agonist of FFA1 receptor;Agonist of FFA4 receptor
    Cas Number: 463-40-1        EC Number: MFCD00065720
    Formula:  C18H30O2        Molecular Weight: 278.44
    IUPAC Name:  (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
    SMILES:  CCC=CCC=CCC=CCCCCCCCC(=O)O
    InChIKey: DTOSIQBPPRVQHS-PDBXOOCHSA-N
    InChI:  InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
    Synonyms: C18:3 | cis,cis,cis-9,12,15-Octadecatrienoic acid | cis-9, cis-12, cis-15-octadecatrienoic acid | 18:3(N-3) | 806 - F...
  4. Lithocholic acid, Agonist of Farnesoid X receptor;Agonist of GPBA receptor;Agonist of Pregnane X receptor;Agonist of Vitamin D receptor
    Cas Number: 434-13-9        EC Number: 207-099-1
    Formula:  C24H40O3        Molecular Weight: 376.57
    IUPAC Name:  (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentshow more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
    InChIKey: SMEROWZSTRWXGI-HVATVPOCSA-N
    InChI:  InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,show more
    Synonyms: NCGC00259417-01 | 3alpha-Hydroxy-5beta-cholanate | CCRIS 363 | 17-beta-(1-Methyl-3-carboxypropyl)ethiocholan-3-alpha-...
  5. Rifampicin, Bacterial DNA-directed RNA polymerase inhibitor
    Cas Number: 13292-46-1        EC Number: 236-312-0
    Formula:  C43H58N4O12        Molecular Weight: 822.94
    IUPAC Name:  [(7S,9E,11S,12R,13S,14R,15R,16R,17S,18S,19E,21Z)-2,15,17,27,29-pentahydroxy-11-methoxy-3,7,12,14,16,18,22-heptamethyl-26-[(E)-(4-methylpiperazin-1-yl)show more
    SMILES:  CC1C=CC=C(C(=O)NC2=C(C(=C3C(=C2O)C(=C(C4=C3C(=O)C(O4)(OC=CC(C(C(C(C(C(C1O)C)O)C)OC(=O)C)C)OC)C)C)O)O)C=NN5CCN(CC5)C)C
    InChIKey: JQXXHWHPUNPDRT-WLSIYKJHSA-N
    InChI:  InChI=1S/C43H58N4O12/c1-21-12-11-13-22(2)42(55)45-33-28(20-44-47-17-15-46(9)16-18-47)37(52)30-31(38(33)53)36(51)26(6)40-32(30)41(54)43(8,59-40)57-19-1show more
    Synonyms: 8-(((4-Methyl-1-piperazinyl)imino)methyl)rifamycin SV | Prestwick_833 | Rifampicinum (INN-Latin) | Rifoldine | 3-(4-M...
  6. Lithocholic acid
    Cas Number: 434-13-9        EC Number: 207-099-1
    Formula:  C24H40O3        Molecular Weight: 376.57
    IUPAC Name:  (4R)-4-[(3R,5R,8R,9S,10S,13R,14S,17R)-3-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentshow more
    SMILES:  CC(CCC(=O)O)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)O)C)C
    InChIKey: SMEROWZSTRWXGI-HVATVPOCSA-N
    InChI:  InChI=1S/C24H40O3/c1-15(4-9-22(26)27)19-7-8-20-18-6-5-16-14-17(25)10-12-23(16,2)21(18)11-13-24(19,20)3/h15-21,25H,4-14H2,1-3H3,(H,26,27)/t15-,16-,17-,show more
    Synonyms: NCGC00259417-01 | 3alpha-Hydroxy-5beta-cholanate | CCRIS 363 | 17-beta-(1-Methyl-3-carboxypropyl)ethiocholan-3-alpha-...
  7. 5β-Dihydro Progesterone, Agonist of Constitutive androstane receptor;Agonist of Pregnane X receptor
    Cas Number: 128-23-4
    Formula:  C21H32O2        Molecular Weight: 316.48
    IUPAC Name:  (5R,8R,9S,10S,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-one
    SMILES:  CC(=O)C1CCC2C1(CCC3C2CCC4C3(CCC(=O)C4)C)C
    InChIKey: XMRPGKVKISIQBV-XWOJZHJZSA-N
    InChI:  InChI=1S/C21H32O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h14,16-19H,4-12H2,1-3H3/t14-,16+,17-,18+,19+,20+,21-/m1/s1
    Synonyms: 5.beta.-Pregnane-3,20-dione | Pregnane-3, (5.beta.)- | Q21099648 | 105J2Q45A0 | U-2411 | DB07557 | J1.722.247C | 5bet...
  8. Linolenic acid
    Cas Number: 463-40-1        EC Number: MFCD00065720
    Formula:  C18H30O2        Molecular Weight: 278.44
    IUPAC Name:  (9Z,12Z,15Z)-octadeca-9,12,15-trienoic acid
    SMILES:  CCC=CCC=CCC=CCCCCCCCC(=O)O
    InChIKey: DTOSIQBPPRVQHS-PDBXOOCHSA-N
    InChI:  InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h3-4,6-7,9-10H,2,5,8,11-17H2,1H3,(H,19,20)/b4-3-,7-6-,10-9-
    Synonyms: cis,cis,cis-9,12,15-Octadecatrienoic acid | (Z,Z,Z)-9,12,15-Octadecatrienoic acid | linolenate | linolenic acid | (9Z...
  9. Pregnenolone-16alpha-carbonitrile, Agonist of Pregnane X receptor
    Cas Number: 1434-54-4        Compound CID:  15032
    Formula:  C22H31NO2        Molecular Weight: 341.49
    IUPAC Name:  (3S,8S,9S,10R,13S,14S,16R,17S)-17-acetyl-3-hydroxy-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-16-carbonitrishow more
    SMILES:  CC(=O)C1C(CC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C)C#N
    InChIKey: VSBHRRMYCDQLJF-ZDNYCOCVSA-N
    InChI:  InChI=1S/C22H31NO2/c1-13(24)20-14(12-23)10-19-17-5-4-15-11-16(25)6-8-21(15,2)18(17)7-9-22(19,20)3/h4,14,16-20,25H,5-11H2,1-3H3/t14-,16-,17+,18-,19-,20show more
    Synonyms: BRD-K39356024-001-02-4 | SC4674 | SC-4674 | 5-Pregnen-3beta-ol-20-one-16alpha-carbonitrile, >=97% | AKOS027381467 | P...
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