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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1-氨基-8-萘酚-2,4-二磺酸一钠盐水合物
- ≥85%(HPLC)(T)
CAS号 : 52789-62-5

分子式: C₁₀H₈NNaO₇S₂·xH₂O 分子量: 341.28

IUPAC Name: sodium;4-amino-5-hydroxy-3-sulfonaphthalene-1-sulfonate

SMILES: C1=CC2=C(C(=C1)O)C(=C(C=C2S(=O)(=O)[O-])S(=O)(=O)O)N.[Na+]

InChIKey: JOVLEOXYYWEEEW-UHFFFAOYSA-M

InChI: InChI=1S/C10H9NO7S2.Na/c11-10-8(20(16,17)18)4-7(19(13,14)15)5-2-1-3-6(12)9(5)10;/h1-4,12H,11H2,(H,13,14,15)(H,16,17,18);/q;+1/p-1
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乙酸苯酯-d5
- ≥97 atom% D,≥98%
CAS号 : 22705-26-6 Compound CID : 12235684

分子式: C₈H₃D₅O₂ 分子量: 141.18

IUPAC Name: (2,3,4,5,6-pentadeuteriophenyl) acetate

SMILES: CC(=O)OC1=CC=CC=C1

InChIKey: IPBVNPXQWQGGJP-VIQYUKPQSA-N

InChI: InChI=1S/C8H8O2/c1-7(9)10-8-5-3-2-4-6-8/h2-6H,1H3/i2D,3D,4D,5D,6D
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25-羟基维生素 D₂ (6,19,19-d₃) 溶液
- ≥97 atom% D,≥98%
- 100μg/mL in ethanol
CAS号 : 1217467-39-4 Compound CID : 71310751

分子式: C₂₈D₃H₄₁O₂ 分子量: 415.67

IUPAC Name: (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol

SMILES: [2H]/C([2H])=C1CC[C@H](O)CC\1=C([2H])\C=C2/CCC[C@]3(C)[C@H](CC[C@@H]23)[C@H](C)\C=C\[C@H](C)C(C)(C)O

InChIKey: KJKIIUAXZGLUND-ABHIMYCLSA-N

InChI: InChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9?,22-12+,23-13+/t20-,21+,24+,25-,26+,28-/m1/s1/i1D2,13D
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25-羟基维生素 D₂ (6,19,19-d₃) 溶液
- ≥97 atom% D,≥98%
- 5μg/mL in ethanol
CAS号 : 1217467-39-4 Compound CID : 71310751

分子式: C₂₈D₃H₄₁O₂ 分子量: 415.67

IUPAC Name: (1S,3E)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R,5S)-6-hydroxy-5,6-dimethylhept-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol

SMILES: [2H]/C([2H])=C1CC[C@H](O)CC\1=C([2H])\C=C2/CCC[C@]3(C)[C@H](CC[C@@H]23)[C@H](C)\C=C\[C@H](C)C(C)(C)O

InChIKey: KJKIIUAXZGLUND-ABHIMYCLSA-N

InChI: InChI=1S/C28H44O2/c1-19-10-14-24(29)18-23(19)13-12-22-8-7-17-28(6)25(15-16-26(22)28)20(2)9-11-21(3)27(4,5)30/h9,11-13,20-21,24-26,29-30H,1,7-8,10,14-18H2,2-6H3/b11-9?,22-12+,23-13+/t20-,21+,24+,25-,26+,28-/m1/s1/i1D2,13D
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25-羟基维生素 D₃ (6,19,19-d₃) 溶液
- ≥97 atom% D,≥98%
- 5μg/mL in ethanol
CAS号 : 140710-94-7 Compound CID : 71314475

分子式: C₂₇H₄₄O₂ 分子量: 403.66

IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol

SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

InChIKey: JWUBBDSIWDLEOM-CMMPNOGOSA-N

InChI: InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1/i1D2,12D
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25-羟基维生素 D₃ (6,19,19-d₃) 溶液
- ≥97 atom% D,≥98%
- 100μg/mL in ethanol
CAS号 : 140710-94-7 Compound CID : 71314475

分子式: C₂₇H₄₄O₂ 分子量: 403.66

IUPAC Name: (1S,3Z)-3-[(2E)-2-[(1R,3aS,7aR)-1-[(2R)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]-1-deuterioethylidene]-4-(dideuteriomethylidene)cyclohexan-1-ol

SMILES: CC(CCCC(C)(C)O)C1CCC2C1(CCCC2=CC=C3CC(CCC3=C)O)C

InChIKey: JWUBBDSIWDLEOM-CMMPNOGOSA-N

InChI: InChI=1S/C27H44O2/c1-19-10-13-23(28)18-22(19)12-11-21-9-7-17-27(5)24(14-15-25(21)27)20(2)8-6-16-26(3,4)29/h11-12,20,23-25,28-29H,1,6-10,13-18H2,2-5H3/b21-11+,22-12-/t20-,23+,24-,25+,27-/m1/s1/i1D2,12D
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胆固醇-2,2,3,4,4,6-d₆
- ≥97 atom% D,≥98%
CAS号 : 92543-08-3 Compound CID : 16213400

分子式: C₂₇H₄₀D₆O 分子量: 392.69

IUPAC Name: (3S,8S,9S,10R,13R,14S,17R)-2,2,3,4,4,6-hexadeuterio-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-1,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-ol

SMILES: [2H]C1=C2C([2H])([2H])[C@@]([2H])(O)C([2H])([2H])C[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@H]4[C@@H]3C1)[C@H](C)CCCC(C)C

InChIKey: HVYWMOMLDIMFJA-HHPLMCQASA-N

InChI: InChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1/i9D,13D2,17D2,21D
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