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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三辛酸甘油酯（羧基-13C₃）
- ≥99 atom%,≥98%
CAS号: 65402-55-3

分子式: 13C₃C₂₆H₅₀O₆ 分子量: 473.66

IUPAC Name: 2,3-di((113C)octanoyloxy)propyl (113C)octanoate

SMILES: CCCCCCCC(=O)OCC(COC(=O)CCCCCCC)OC(=O)CCCCCCC

InChIKey: VLPFTAMPNXLGLX-UTXJEHKQSA-N

InChI: 1S/C27H50O6/c1-4-7-10-13-16-19-25(28)31-22-24(33-27(30)21-18-15-12-9-6-3)23-32-26(29)20-17-14-11-8-5-2/h24H,4-23H2,1-3H3/i25+1,26+1,27+1
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恩诺沙星-D5
- ≥99 atom%,≥98%
CAS号: 1173021-92-5

分子式: C₁₉H₁₇D₅FN₃O₃ 分子量: 364.43

IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(1,1,2,2,2-pentadeuterioethyl)piperazin-1-yl]quinoline-3-carboxylic acid

SMILES: CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChIKey: SPFYMRJSYKOXGV-ZBJDZAJPSA-N

InChI: 1S/C19H22FN3O3/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12/h9-12H,2-8H2,1H3,(H,25,26)/i1D3,2D2
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裂番木鳖苷
- ≥88%
CAS号: 19351-63-4 Compound CID : 161276

分子式: C₁₇H₂₄O₁₀ 分子量: 388.37

IUPAC Name: methyl (2S,3R,4S)-3-ethenyl-4-(2-oxoethyl)-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate

SMILES: COC(=O)C1=COC(C(C1CC=O)C=C)OC2C(C(C(C(O2)CO)O)O)O

InChIKey: CSKKDSFETGLMSB-NRZPKYKESA-N

InChI: 1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1
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丙酮酸钠-1-13 C
- ≥99 atom%,≥98%
CAS号: 87976-71-4

分子式: ¹³CC₂H₃NaO₃ 分子量: 111.04

IUPAC Name: sodium;2-oxo(113C)propanoate

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

InChIKey: DAEPDZWVDSPTHF-FJUFCODESA-M

InChI: 1S/C3H4O3.Na/c1-2(4)3(5)6;/h1H3,(H,5,6);/q;+1/p-1/i3+1;
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琥珀酸-2,3-13C2
- ≥99 atom%,≥98%
CAS号: 61128-08-3

分子式: C₂(13C)₂H₆O₄ 分子量: 120.07

IUPAC Name: (2,3-13C2)butanedioic acid

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

InChIKey: KDYFGRWQOYBRFD-ZDOIIHCHSA-N

InChI: 1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)/i1+1,2+1
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2-氨基-6,8-二羟基嘌呤盐酸盐
- ≥88%
CAS号: 1246818-54-1 Compound CID : 136257790

分子式: C₅H₆ClN₅O₂ 分子量: 203.59

IUPAC Name: 2-amino-7,9-dihydro-1H-purine-6,8-dione;hydrochloride

SMILES: C12=C(NC(=O)N1)N=C(NC2=O)N.Cl

InChIKey: NZKRTEBHJIBRHK-UHFFFAOYSA-N

InChI: 1S/C5H5N5O2.ClH/c6-4-8-2-1(3(11)10-4)7-5(12)9-2;/h(H5,6,7,8,9,10,11,12);1H
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5-甲基四氢叶酸二钠盐
- ≥88%
CAS号: 68792-52-9

分子式: C₂₀H₂₃N₇Na₂O₆ 分子量: 503.42

IUPAC Name: disodium;2-[[4-[(2-amino-5-methyl-4-oxo-3,6,7,8-tetrahydropteridin-6-yl)methylamino]benzoyl]amino]pentanedioate

SMILES: CN1C(CNC2=C1C(=O)NC(=N2)N)CNC3=CC=C(C=C3)C(=O)NC(CCC(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChIKey: KKIWVYLOTHCGRV-UHFFFAOYSA-L

InChI: 1S/C20H25N7O6.2Na/c1-27-12(9-23-16-15(27)18(31)26-20(21)25-16)8-22-11-4-2-10(3-5-11)17(30)24-13(19(32)33)6-7-14(28)29;;/h2-5,12-13,22H,6-9H2,1H3,(H,24,30)(H,28,29)(H,32,33)(H4,21,23,25,26,31);;/q;2*+1See more
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L-半胱氨酸-¹³C₃,¹⁵N
- ≥99 atom%,≥98%
CAS号: 202406-97-1

分子式: 13C₃H₇15NO₂S 分子量: 125.13

IUPAC Name: (2S)-2-(15N)azanyl-3-sulfanyl(1,2,3-13C3)propanoic acid

SMILES: C(C(C(=O)O)N)S

InChIKey: XUJNEKJLAYXESH-ROQAEYOOSA-N

InChI: 1S/C3H7NO2S/c4-2(1-7)3(5)6/h2,7H,1,4H2,(H,5,6)/t2-/m1/s1/i1+1,2+1,3+1,4+1
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L-色氨酸-¹³C₁₁,¹⁵N₂
- ≥99 atom%,≥98%
CAS号: 202406-50-6

分子式: C₁₁H₁₂N₂O₂ 分子量: 217.13

IUPAC Name: (2R)-2-(15N)azanyl-3-(1H-indol-3-yl)(1,2,3-13C3)propanoic acid

SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

InChIKey: QIVBCDIJIAJPQS-HNEHNLBWSA-N

InChI: 1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m1/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1
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二苯甲酮-(羰基-¹³C)
- ≥99 atom%,≥98%
CAS号: 32488-48-5

分子式: (C₆H₅)213CO 分子量: 183.21

IUPAC Name: diphenyl(113C)methanone

SMILES: C1=CC=C(C=C1)C(=O)C2=CC=CC=C2

InChIKey: RWCCWEUUXYIKHB-KCKQSJSWSA-N

InChI: 1S/C13H10O/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H/i13+1
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