Drug Metabolite - 代谢酶/蛋白酶 - 按“信号通路”分类 - 小分子和化合物库

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3-甲基-喹噁啉-2-羧酸

规格或纯度 :

≥95%

CAS号 : 74003-63-7 Compound CID : 6484678

分子式: C₁₀H₈N₂O₂ 分子量: 188.183

IUPAC Name: 3-methylquinoxaline-2-carboxylic acid

SMILES: CC1=NC2=CC=CC=C2N=C1C(=O)O

InChIKey: BJPNADFNSANIPF-UHFFFAOYSA-N

InChI: InChI=1S/C10H8N2O2/c1-6-9(10(13)14)12-8-5-3-2-4-7(8)11-6/h2-5H,1H3,(H,13,14)

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D-(+)-纤维四糖

规格或纯度 :

≥95%

CAS号 : 38819-01-1 Compound CID : 439626

分子式: C₂₄H₄₂O₂₁ 分子量: 666.58

IUPAC Name: (2S,3R,4S,5S,6R)-2-[(2R,3S,4R,5R,6S)-6-[(2R,3S,4R,5R,6S)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)oxan-3-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol

SMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)OC3C(OC(C(C3O)O)OC4C(OC(C(C4O)O)O)CO)CO)CO)O)O)O)O

InChIKey: LUEWUZLMQUOBSB-YQGOCCRESA-N

InChI: InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21?,22+,23+,24+/m1/s1

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D-葡萄糖基-β1-1'-D-赤型-鞘氨醇

规格或纯度 :

≥95%

CAS号 : 52050-17-6 Compound CID : 5280570

分子式: C₂₄H₄₇NO₇ 分子量: 461.632

IUPAC Name: (2R,3R,4S,5S,6R)-2-[(E,2S,3R)-2-amino-3-hydroxyoctadec-4-enoxy]-6-(hydroxymethyl)oxane-3,4,5-triol

SMILES: CCCCCCCCCCCCCC=CC(C(COC1C(C(C(C(O1)CO)O)O)O)N)O

InChIKey: HHJTWTPUPVQKNA-JIAPQYILSA-N

InChI: InChI=1S/C24H47NO7/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(27)18(25)17-31-24-23(30)22(29)21(28)20(16-26)32-24/h14-15,18-24,26-30H,2-13,16-17,25H2,1H3/b15-14+/t18-,19+,20+,21+,22-,23+,24+/m0/s1

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泮托拉唑硫酸盐

规格或纯度 :

≥95%

CAS号 : 102625-64-9 Compound CID : 9799341

分子式: C₁₆H₁₅F₂N₃O₃S 分子量: 367.37

IUPAC Name: 6-(difluoromethoxy)-2-[(3,4-dimethoxypyridin-2-yl)methylsulfanyl]-1H-benzimidazole

SMILES: COC1=C(C(=NC=C1)CSC2=NC3=C(N2)C=C(C=C3)OC(F)F)OC

InChIKey: UKILEIRWOYBGEJ-UHFFFAOYSA-N

InChI: InChI=1S/C16H15F2N3O3S/c1-22-13-5-6-19-12(14(13)23-2)8-25-16-20-10-4-3-9(24-15(17)18)7-11(10)21-16/h3-7,15H,8H2,1-2H3,(H,20,21)

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L-苏糖酸镁

规格或纯度 :

≥95%

CAS号 : 778571-57-6 Compound CID : 45489777

分子式: C₈H₁₄MgO₁₀ 分子量: 294.5

IUPAC Name: magnesium;(2R,3S)-2,3,4-trihydroxybutanoate

SMILES: C(C(C(C(=O)[O-])O)O)O.C(C(C(C(=O)[O-])O)O)O.[Mg+2]

InChIKey: YVJOHOWNFPQSPP-BALCVSAKSA-L

InChI: InChI=1S/2C4H8O5.Mg/c2*5-1-2(6)3(7)4(8)9;/h2*2-3,5-7H,1H2,(H,8,9);/q;;+2/p-2/t2*2-,3+;/m00./s1

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N-去甲基氯氮平

规格或纯度 :

Moligand™

≥95%

CAS号 : 6104-71-8 Compound CID : 135409468

分子式: C₁₇H₁₇ClN₄ 分子量: 312.8

IUPAC Name: 3-chloro-6-piperazin-1-yl-11H-benzo[b][1,4]benzodiazepine

SMILES: C1CN(CCN1)C2=NC3=C(C=CC(=C3)Cl)NC4=CC=CC=C42

InChIKey: JNNOSTQEZICQQP-UHFFFAOYSA-N

InChI: InChI=1S/C17H17ClN4/c18-12-5-6-15-16(11-12)21-17(22-9-7-19-8-10-22)13-3-1-2-4-14(13)20-15/h1-6,11,19-20H,7-10H2

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MTIC

规格或纯度 :

≥95%

CAS号 : 3413-72-7 Compound CID : 76953

分子式: C₅H₈N₆O 分子量: 168.16

IUPAC Name: 4-(2-methyliminohydrazinyl)-1H-imidazole-5-carboxamide

SMILES: CN=NNC1=C(NC=N1)C(=O)N

InChIKey: MVBPAIHFZZKRGD-UHFFFAOYSA-N

InChI: InChI=1S/C5H8N6O/c1-7-11-10-5-3(4(6)12)8-2-9-5/h2H,1H3,(H2,6,12)(H,7,10)(H,8,9)

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N-去甲基红霉素A

规格或纯度 :

≥95%

CAS号 : 992-62-1 Compound CID : 10010092

分子式: C₃₆H₆₅NO₁₃ 分子量: 719.9

IUPAC Name: (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-14-ethyl-7,12,13-trihydroxy-4-[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-6-[(2S,3R,4S,6R)-3-hydroxy-6-methyl-4-(methylamino)oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-oxacyclotetradecane-2,10-dione

SMILES: CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)NC)O)(C)O)C)C)O)(C)O

InChIKey: TXOOBKBDBNRQCF-QNPWSHAKSA-N

InChI: InChI=1S/C36H65NO13/c1-13-24-36(10,44)29(40)19(4)26(38)17(2)15-34(8,43)31(50-33-27(39)23(37-11)14-18(3)46-33)20(5)28(21(6)32(42)48-24)49-25-16-35(9,45-12)30(41)22(7)47-25/h17-25,27-31,33,37,39-41,43-44H,13-16H2,1-12H3/t17-,18-,19+,20+,21-,22+,23+,24-,25+,27-,28+,29-,30+,31-,33+,34-,35-,36-/m1/s1

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别嘌呤醇核糖苷

规格或纯度 :

≥95%

CAS号 : 16220-07-8 Compound CID : 135407110

分子式: C₁₀H₁₂N₄O₅ 分子量: 268.23

IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5H-pyrazolo[3,4-d]pyrimidin-4-one

SMILES: C1=NN(C2=C1C(=O)NC=N2)C3C(C(C(O3)CO)O)O

InChIKey: KFQUAMTWOJHPEJ-DAGMQNCNSA-N

InChI: InChI=1S/C10H12N4O5/c15-2-5-6(16)7(17)10(19-5)14-8-4(1-13-14)9(18)12-3-11-8/h1,3,5-7,10,15-17H,2H2,(H,11,12,18)/t5-,6-,7-,10-/m1/s1

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喹硫平亚砜

规格或纯度 :

≥95%

CAS号 : 329216-63-9 Compound CID : 10431050

分子式: C₂₁H₂₅N₃O₃S 分子量: 399.51

IUPAC Name: 2-[2-[4-[(11S)-11-oxobenzo[b][1,4]benzothiazepin-6-yl]piperazin-1-yl]ethoxy]ethanol

SMILES: C1CN(CCN1CCOCCO)C2=NC3=CC=CC=C3S(=O)C4=CC=CC=C42

InChIKey: FXJNLPUSSHEDON-NDEPHWFRSA-N

InChI: InChI=1S/C21H25N3O3S/c25-14-16-27-15-13-23-9-11-24(12-10-23)21-17-5-1-3-7-19(17)28(26)20-8-4-2-6-18(20)22-21/h1-8,25H,9-16H2/t28-/m0/s1

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多巴胺4-O-硫酸盐

规格或纯度 :

≥95%

CAS号 : 38339-02-5 Compound CID : 123932

分子式: C₈H₁₁NO₅S 分子量: 233.24

IUPAC Name: [4-(2-aminoethyl)-2-hydroxyphenyl] hydrogen sulfate

SMILES: C1=CC(=C(C=C1CCN)O)OS(=O)(=O)O

InChIKey: DEKNNWJXAQTLFA-UHFFFAOYSA-N

InChI: InChI=1S/C8H11NO5S/c9-4-3-6-1-2-8(7(10)5-6)14-15(11,12)13/h1-2,5,10H,3-4,9H2,(H,11,12,13)

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氟替卡松二聚体杂质

规格或纯度 :

≥95%

CAS号 : 220589-37-7 Compound CID : 71316902

分子式: C₄₃H₅₁F₅O₈S 分子量: 822.92

IUPAC Name: [(6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-17-(fluoromethylsulfanylcarbonyl)-11-hydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl] (6S,8S,9R,10S,11S,13S,14S,16R,17R)-6,9-difluoro-11,17-dihydroxy-10,13,16-trimethyl-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthrene-17-carboxylate

SMILES: CC1CC2C3CC(C4=CC(=O)C=CC4(C3(C(CC2(C1(C(=O)OC5(C(CC6C5(CC(C7(C6CC(C8=CC(=O)C=CC87C)F)F)O)C)C)C(=O)SCF)O)C)O)F)C)F

InChIKey: GTZKCEBOBPLPHH-AMISWYLQSA-N

InChI: InChI=1S/C43H51F5O8S/c1-20-11-24-26-15-30(45)28-13-22(49)7-9-36(28,3)40(26,47)32(51)17-38(24,5)42(20,55)34(53)56-43(35(54)57-19-44)21(2)12-25-27-16-31(46)29-14-23(50)8-10-37(29,4)41(27,48)33(52)18-39(25,43)6/h7-10,13-14,20-21,24-27,30-33,51-52,55H,11-12,15-19H2,1-6H3/t20-,21-,24+,25+,26+,27+,30+,31+,32+,33+,36+,37+,38+,39+,40+,41+,42+,43+/m1/s1

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