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-羟基-3-甲基戊二酸
- ≥93%
CAS号 : 503-49-1 Compound CID : 1662

分子式: C₆H₁₀O₅ 分子量: 162.14

IUPAC Name: 3-hydroxy-3-methylpentanedioic acid

SMILES: CC(CC(=O)O)(CC(=O)O)O

InChIKey: NPOAOTPXWNWTSH-UHFFFAOYSA-N

InChI: InChI=1S/C6H10O5/c1-6(11,2-4(7)8)3-5(9)10/h11H,2-3H2,1H3,(H,7,8)(H,9,10)
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DL-异柠檬酸三钠盐水合物
- ≥93%
CAS号 : 1637-73-6 Compound CID : 168942

分子式: C₆H₅O₇Na₃·xH₂O 分子量: 258.07 (anhydrous basis)

IUPAC Name: trisodium;1-hydroxypropane-1,2,3-tricarboxylate

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

InChIKey: HWMVXEKEEAIYGB-UHFFFAOYSA-K

InChI: InChI=1S/C6H8O7.3Na/c7-3(8)1-2(5(10)11)4(9)6(12)13;;;/h2,4,9H,1H2,(H,7,8)(H,10,11)(H,12,13);;;/q;3*+1/p-3
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胆固醇壬酸酯
- ≥93%
CAS号 : 1182-66-7 Compound CID : 2723614

分子式: C₃₆H₆₂O₂ 分子量: 526.89

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

SMILES: CCCCCCCCC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CCC4C(C)CCCC(C)C)C)C

InChIKey: WCLNGBQPTVENHV-MKQVXYPISA-N

InChI: InChI=1S/C36H62O2/c1-7-8-9-10-11-12-16-34(37)38-29-21-23-35(5)28(25-29)17-18-30-32-20-19-31(27(4)15-13-14-26(2)3)36(32,6)24-22-33(30)35/h17,26-27,29-33H,7-16,18-25H2,1-6H3/t27-,29+,30+,31-,32+,33+,35+,36-/m1/s1
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NADPH,辅酶
- ≥93%
CAS号 : 2646-71-1

分子式: C₂₁H₂₆N₇Na₄O₁₇P₃ · xH₂O 分子量: 833.35 (anhydrous basis)

IUPAC Name: tetrasodium;[(2R,3R,4R,5R)-2-(6-aminopurin-9-yl)-5-[[[[(2R,3S,4R,5R)-5-(3-carbamoyl-4H-pyridin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]-4-hydroxyoxolan-3-yl] phosphate

SMILES: [Na+].[Na+].[Na+].[Na+].NC(=O)C1=CN(C=CC1)[C@H]2O[C@@H](COP([O-])(=O)OP([O-])(=O)OC[C@H]3O[C@H]([C@H](OP([O-])([O-])=O)[C@@H]3O)n4cnc5c(N)ncnc45)[C@H](O)[C@@H]2O

InChIKey: WYWWVJHQDVCHKF-ITGWJZMWSA-J

InChI: InChI=1S/C21H30N7O17P3.4Na/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32;;;;/h1,3-4,7-8,10-11,13-16,20-21,29-31H,2,5-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35);;;;/q;4*+1/p-4/t10-,11-,13-,14-,15-,16-,20-,21-;;;;/m1..../s1
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D-（-）-3-磷酸甘油二钠盐
- ≥93%
CAS号 : 80731-10-8 Compound CID : 16219906

分子式: C₃H₅O₇P・2Na 分子量: 230.02

IUPAC Name: disodium;(2R)-2-hydroxy-3-[hydroxy(oxido)phosphoryl]oxypropanoate

SMILES: [Na+].[Na+].O[C@H](COP(O)([O-])=O)C([O-])=O

InChIKey: RGCJWQYUZHTJBE-YBBRRFGFSA-L

InChI: InChI=1S/C3H7O7P.2Na/c4-2(3(5)6)1-10-11(7,8)9;;/h2,4H,1H2,(H,5,6)(H2,7,8,9);;/q;2*+1/p-2/t2-;;/m1../s1
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磷酸（烯醇）丙酮酸单钠盐水合物
- ≥97%(enzymatic)
CAS号 : 53823-68-0 Compound CID : 23679145

分子式: C₃H₄NaO₆P · xH₂O 分子量: 190.02 (anhydrous basis)

IUPAC Name: sodium;1-carboxyethenyl hydrogen phosphate

SMILES: C=C(C(=O)O)OP(=O)(O)[O-].[Na+]

InChIKey: NESXXUAWVHXRGX-UHFFFAOYSA-M

InChI: InChI=1S/C3H5O6P.Na/c1-2(3(4)5)9-10(6,7)8;/h1H2,(H,4,5)(H2,6,7,8);/q;+1/p-1
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异绿原酸B
- ≥93%
CAS号 : 14534-61-3 Compound CID : 5281780

分子式: C₂₅H₂₄O₁₂ 分子量: 516.46

IUPAC Name: (1S,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid

SMILES: C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)OC(=O)C=CC3=CC(=C(C=C3)O)O)O

InChIKey: UFCLZKMFXSILNL-PSEXTPKNSA-N

InChI: InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25+/m1/s1
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