代谢酶/蛋白酶 - 按“信号通路”分类 - 小分子和化合物库

腺苷-5′-二磷酸钠盐

规格或纯度 :

≥95%(HPLC)

CAS号 : 20398-34-9 Compound CID : 12797869

分子式: C₁₀H₁₅N₅O₁₀P₂.xNa 分子量: 427.20（free）

IUPAC Name: trisodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] phosphate

SMILES: [Na].Nc1ncnc2n(cnc12)C3OC(COP(O)(=O)OP(O)(O)=O)C(O)C3O

InChIKey: KWEUUBDPVVHQAL-MSQVLRTGSA-K

InChI: InChI=1S/C10H15N5O10P2.3Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;;/q;3*+1/p-3/t4-,6-,7-,10-;;;/m1.../s1

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天然脱落酸

规格或纯度 :

≥95%(HPLC)

CAS号 : 21293-29-8 Compound CID : 5280896

分子式: C₁₅H₂₀O₄ 分子量: 264.32

IUPAC Name: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid

SMILES: CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C

InChIKey: JLIDBLDQVAYHNE-YKALOCIXSA-N

InChI: InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1

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川皮苷

规格或纯度 :

Moligand™

≥95%(HPLC)

CAS号 : 478-01-3 Compound CID : 72344

分子式: C₂₁H₂₂O₈ 分子量: 402.39

IUPAC Name: 2-(3,4-dimethoxyphenyl)-5,6,7,8-tetramethoxychromen-4-one

SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC

InChIKey: MRIAQLRQZPPODS-UHFFFAOYSA-N

InChI: InChI=1S/C21H22O8/c1-23-13-8-7-11(9-15(13)24-2)14-10-12(22)16-17(25-3)19(26-4)21(28-6)20(27-5)18(16)29-14/h7-10H,1-6H3

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萘荧光素

规格或纯度 :

≥95%(HPLC)

CAS号 : 61419-02-1 Compound CID : 3124834

分子式: C₂₈H₁₆O₅ 分子量: 432.42

IUPAC Name: 7',19'-dihydroxyspiro[2-benzofuran-3,13'-2-oxapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),5,7,10,15,17(22),18,20-decaene]-1-one

SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C5=C(C=C4)C=C(C=C5)O)OC6=C3C=CC7=C6C=CC(=C7)O

InChIKey: IXQIUDNVFVTQLJ-UHFFFAOYSA-N

InChI: InChI=1S/C28H16O5/c29-17-7-9-19-15(13-17)5-11-23-25(19)32-26-20-10-8-18(30)14-16(20)6-12-24(26)28(23)22-4-2-1-3-21(22)27(31)33-28/h1-14,29-30H

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纳他霉素

规格或纯度 :

≥95%(HPLC)

CAS号 : 7681-93-8 Compound CID : 5284447

分子式: C₃₃H₄₇NO₁₃ 分子量: 665.73

IUPAC Name: (1R,3S,5R,7R,8E,12R,14E,16E,18E,20E,22R,24S,25R,26S)-22-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,26-trihydroxy-12-methyl-10-oxo-6,11,28-trioxatricyclo[22.3.1.05,7]octacosa-8,14,16,18,20-pentaene-25-carboxylic acid

SMILES: CC1CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC3C(O3)C=CC(=O)O1)O)O)O)C(=O)O)OC4C(C(C(C(O4)C)O)N)O

InChIKey: NCXMLFZGDNKEPB-FFPOYIOWSA-N

InChI: InChI=1S/C33H47NO13/c1-18-10-8-6-4-3-5-7-9-11-21(45-32-30(39)28(34)29(38)19(2)44-32)15-25-27(31(40)41)22(36)17-33(42,47-25)16-20(35)14-24-23(46-24)12-13-26(37)43-18/h3-9,11-13,18-25,27-30,32,35-36,38-39,42H,10,14-17,34H2,1-2H3,(H,40,41)/b4-3+,7-5+,8-6+,11-9+,13-12+/t18-,19-,20+,21+,22+,23-,24-,25+,27-,28+,29-,30+,32+,33-/m1/s1

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氘代溴苯

规格或纯度 :

≥99 atom% D5

CAS号 : 4165-57-5 Compound CID : 2723968

分子式: C₆D₅Br 分子量: 162.04

IUPAC Name: 1-bromo-2,3,4,5,6-pentadeuteriobenzene

SMILES: C1=CC=C(C=C1)Br

InChIKey: QARVLSVVCXYDNA-RALIUCGRSA-N

InChI: InChI=1S/C6H5Br/c7-6-4-2-1-3-5-6/h1-5H/i1D,2D,3D,4D,5D

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胆固醇

规格或纯度 :

AR

≥95%(HPLC)

CAS号 : 57-88-5

分子式: C₂₇H₄₆O 分子量: 386.65

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-ol

SMILES: [H][C@@]12CC=C3C[C@@H](O)CC[C@]3(C)[C@@]1([H])CC[C@]4(C)[C@H](CC[C@@]24[H])[C@H](C)CCCC(C)C

InChIKey: HVYWMOMLDIMFJA-DPAQBDIFSA-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

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天然辣椒碱

规格或纯度 :

天然

Moligand™

≥95%(HPLC)
from Capsicum sp.

CAS号 : 404-86-4 Compound CID : 1548943

分子式: C₁₈H₂₇NO₃ 分子量: 305.41

IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide

SMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

InChIKey: YKPUWZUDDOIDPM-SOFGYWHQSA-N

InChI: InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+

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天然辣椒碱

规格或纯度 :

分析标准品

Moligand™

≥95%(HPLC)
天然

CAS号 : 404-86-4 Compound CID : 1548943

分子式: C₁₈H₂₇NO₃ 分子量: 305.41

IUPAC Name: (E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methylnon-6-enamide

SMILES: CC(C)C=CCCCCC(=O)NCC1=CC(=C(C=C1)O)OC

InChIKey: YKPUWZUDDOIDPM-SOFGYWHQSA-N

InChI: InChI=1S/C18H27NO3/c1-14(2)8-6-4-5-7-9-18(21)19-13-15-10-11-16(20)17(12-15)22-3/h6,8,10-12,14,20H,4-5,7,9,13H2,1-3H3,(H,19,21)/b8-6+

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碳酸盐离子载体VII

规格或纯度 :

≥95%(HPLC)

CAS号 : 222310-82-9 Compound CID : 99649076

分子式: C₅₈H₇₉F₆NO₇ 分子量: 1016.24

IUPAC Name: [(3R,5R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R)-5-(dioctylamino)-5-oxopentan-2-yl]-10,13-dimethyl-12-[4-(2,2,2-trifluoroacetyl)benzoyl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-(2,2,2-trifluoroacetyl)benzoate

SMILES: CCCCCCCCN(CCCCCCCC)C(=O)CCC(C)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)OC(=O)C5=CC=C(C=C5)C(=O)C(F)(F)F)C)OC(=O)C6=CC=C(C=C6)C(=O)C(F)(F)F)C

InChIKey: PNOQSKXIBWVYCX-PNZPGYLPSA-N

InChI: InChI=1S/C58H79F6NO7/c1-6-8-10-12-14-16-34-65(35-17-15-13-11-9-7-2)50(66)31-18-38(3)46-29-30-47-45-28-27-43-36-44(71-53(69)41-23-19-39(20-24-41)51(67)57(59,60)61)32-33-55(43,4)48(45)37-49(56(46,47)5)72-54(70)42-25-21-40(22-26-42)52(68)58(62,63)64/h19-26,38,43-49H,6-18,27-37H2,1-5H3/t38-,43-,44-,45+,46-,47+,48+,49+,55+,56-/m1/s1

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7-乙氧基-4-甲基香豆素

规格或纯度 :

≥95%(HPLC)

CAS号 : 87-05-8 Compound CID : 66595

分子式: C₁₂H₁₂O₃ 分子量: 204.22

IUPAC Name: 7-ethoxy-4-methylchromen-2-one

SMILES: CCOC1=CC2=C(C=C1)C(=CC(=O)O2)C

InChIKey: NKRISXMDKXBVRJ-UHFFFAOYSA-N

InChI: InChI=1S/C12H12O3/c1-3-14-9-4-5-10-8(2)6-12(13)15-11(10)7-9/h4-7H,3H2,1-2H3

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N-羟乙酰神经氨酸（Neu5Gc）

规格或纯度 :

≥95%(HPLC)

CAS号 : 1113-83-3 Compound CID : 123802

分子式: C₁₁H₁₉NO₁₀ 分子量: 325.27

IUPAC Name: (2S,4S,5R,6R)-2,4-dihydroxy-5-[(2-hydroxyacetyl)amino]-6-[(1R,2R)-1,2,3-trihydroxypropyl]oxane-2-carboxylic acid

SMILES: C1C(C(C(OC1(C(=O)O)O)C(C(CO)O)O)NC(=O)CO)O

InChIKey: FDJKUWYYUZCUJX-AJKRCSPLSA-N

InChI: InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11-/m0/s1

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