代谢酶/蛋白酶 - 按“信号通路”分类 - 小分子和化合物库

核黄素磷酸钠

规格或纯度 :

≥93%

CAS号: 130-40-5 EC号: 204-988-6 Compound CID : 23666409

分子式: C₁₇H₂₀N₄NaO₉P 分子量: 478.33

IUPAC Name: sodium;[(2R,3S,4S)-5-(7,8-dimethyl-2,4-dioxobenzo[g]pteridin-10-yl)-2,3,4-trihydroxypentyl] hydrogen phosphate

SMILES: CC1=CC2=C(C=C1C)N(C3=NC(=O)NC(=O)C3=N2)CC(C(C(COP(=O)(O)[O-])O)O)O.[Na+]

InChIKey: OHSHFZJLPYLRIP-BMZHGHOISA-M

InChI: 1S/C17H21N4O9P.Na/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29;/h3-4,11-12,14,22-24H,5-6H2,1-2H3,(H,20,25,26)(H2,27,28,29);/q;+1/p-1/t11-,12+,14-;/m0./s1

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熊果酸

规格或纯度 :

≥93%

CAS号: 77-52-1 EC号: 201-034-0

分子式: C₃₀H₄₈O₃ 分子量: 456.70

IUPAC Name: (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(C5(C)C)O)C)C)C2C1C)C)C(=O)O

InChIKey: WCGUUGGRBIKTOS-GPOJBZKASA-N

InChI: 1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21+,22-,23+,24+,27+,28-,29-,30+See more

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琥珀酸二乙酯

规格或纯度 :

Standard for GC

≥99.6%(GC)

CAS号: 123-25-1 EC号: 204-612-0

分子式: C₈H₁₄O₄ 分子量: 174.19

IUPAC Name: diethyl butanedioate

SMILES: CCOC(=O)CCC(=O)OCC

InChIKey: DKMROQRQHGEIOW-UHFFFAOYSA-N

InChI: 1S/C8H14O4/c1-3-11-7(9)5-6-8(10)12-4-2/h3-6H2,1-2H3

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3-羟基-3-甲基戊二酸

规格或纯度 :

Moligand™

≥93%

CAS号: 503-49-1

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: 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

规格或纯度 :

≥93%

CAS号: 1637-73-6

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: 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

规格或纯度 :

≥93%

CAS号: 1182-66-7

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: 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-/mSee more

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β-烟酰胺腺嘌呤二核苷酸磷酸钠盐(NADP)

规格或纯度 :

≥93%

CAS号: 1184-16-3 EC号: 214-664-6 Compound CID : 2724369

分子式: C₂₁H₂₇N₇NaO₁₇P₃.xH₂O 分子量: 765.39(anhydrous)

IUPAC Name: sodium;[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxyoxolan-2-yl]methoxy-oxidophosphoryl] [(2R,3S,4R,5R)-5-(3-carbamoylpyridin-1-ium-1-yl)-3,4-dihydroxyoxolan-2-yl]methyl phosphate

SMILES: C1=CC(=C[N+](=C1)C2C(C(C(O2)COP(=O)([O-])OP(=O)([O-])OCC3C(C(C(O3)N4C=NC5=C(N=CN=C54)N)OP(=O)(O)O)O)O)O)C(=O)N.[Na+]

InChIKey: JNUMDLCHLVUHFS-QYZPTAICSA-M

InChI: 1S/C21H28N7O17P3.Na/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;/h1-4,7-8,10-11,13-16,20-21,2See more

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NADPH,辅酶

规格或纯度 :

≥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-ySee more

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: 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;;;;/h1,3-4,7-8,10-11,13-16,2See more

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D-（-）-3-磷酸甘油二钠盐

规格或纯度 :

≥93%

CAS号: 80731-10-8

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: 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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异绿原酸B

规格或纯度 :

≥93%

CAS号: 14534-61-3 EC号: 874-682-0

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: 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/sSee more

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5'-甲氧基松脂素

规格或纯度 :

≥93%

CAS号: 40957-99-1 Compound CID : 181681

IUPAC Name: 4-[(3S,3aR,6S,6aR)-3-(4-hydroxy-3-methoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2,6-dimethoxyphenol

SMILES: COC1=CC(=CC(=C1O)OC)C2C3COC(C3CO2)C4=CC(=C(C=C4)O)OC

InChIKey: VJOBNGRIBLNUKN-BMHXQBNDSA-N

InChI: 1S/C21H24O7/c1-24-16-6-11(4-5-15(16)22)20-13-9-28-21(14(13)10-27-20)12-7-17(25-2)19(23)18(8-12)26-3/h4-8,13-14,20-23H,9-10H2,1-3H3/t13-,14-,20+,21+/m0/s1

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N，N，O-Tridesmethylvenlafaxine

规格或纯度 :

≥93%

CAS号: 149289-29-2 Compound CID : 9859500

分子式: C₁₄H₂₁NO₂ 分子量: 235.32

IUPAC Name: 4-[2-amino-1-(1-hydroxycyclohexyl)ethyl]phenol

SMILES: C1CCC(CC1)(C(CN)C2=CC=C(C=C2)O)O

InChIKey: BHCUWXACHAFFSK-UHFFFAOYSA-N

InChI: 1S/C14H21NO2/c15-10-13(11-4-6-12(16)7-5-11)14(17)8-2-1-3-9-14/h4-7,13,16-17H,1-3,8-10,15H2

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