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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甘氨脱氧胆酸-2,2,4,4-d4
- ≥95 atom% D,≥95%
CAS号 : 1069132-37-1 Compound CID : 71309868

分子式: C₂₆H₃₉D₄NO₅ 分子量: 453.65

IUPAC Name: 2-[[(4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,12-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoyl]amino]acetic acid

SMILES: CC(CCC(=O)NCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C

InChIKey: WVULKSPCQVQLCU-JHVXYEQYSA-N

InChI: InChI=1S/C26H43NO5/c1-15(4-9-23(30)27-14-24(31)32)19-7-8-20-18-6-5-16-12-17(28)10-11-25(16,2)21(18)13-22(29)26(19,20)3/h15-22,28-29H,4-14H2,1-3H3,(H,27,30)(H,31,32)/t15-,16-,17-,18+,19-,20+,21+,22+,25+,26-/m1/s1/i10D2,12D2
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Nudifloramide-d3
- ≥95 atom% D,≥95%
CAS号 : 1207384-48-2 Compound CID : 71751269

分子式: C₇H₅D₃N₂O₂ 分子量: 155.17

IUPAC Name: 6-oxo-1-(trideuteriomethyl)pyridine-3-carboxamide

SMILES: CN1C=C(C=CC1=O)C(=O)N

InChIKey: JLQSXXWTCJPCBC-FIBGUPNXSA-N

InChI: InChI=1S/C7H8N2O2/c1-9-4-5(7(8)11)2-3-6(9)10/h2-4H,1H3,(H2,8,11)/i1D3
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叶酸-d4
- ≥95 atom% D,≥95%
CAS号 : 171777-72-3 Compound CID : 136219942

分子式: C₁₉H₁₅D₄N₇O₆ 分子量: 445.42

IUPAC Name: (2S)-2-[[4-[(2-amino-4-oxo-3H-pteridin-6-yl)methylamino]-2,3,5,6-tetradeuteriobenzoyl]amino]pentanedioic acid

SMILES: C1=CC(=CC=C1C(=O)NC(CCC(=O)O)C(=O)O)NCC2=CN=C3C(=N2)C(=O)NC(=N3)N

InChIKey: OVBPIULPVIDEAO-ALIZGMTFSA-N

InChI: InChI=1S/C19H19N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,8,12,21H,5-7H2,(H,24,29)(H,27,28)(H,31,32)(H3,20,22,25,26,30)/t12-/m0/s1/i1D,2D,3D,4D
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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: 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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4'-羟基双氯芬酸-D4
- ≥95 atom% D,≥95%
CAS号 : 254762-27-1 Compound CID : 10805325

分子式: C₁₄H₇D₄Cl₂NO₃ 分子量: 316.17

IUPAC Name: 2-[2,3,4,5-tetradeuterio-6-(2,6-dichloro-4-hydroxyanilino)phenyl]acetic acid

SMILES: C1=CC=C(C(=C1)CC(=O)O)NC2=C(C=C(C=C2Cl)O)Cl

InChIKey: KGVXVPRLBMWZLG-RHQRLBAQSA-N

InChI: InChI=1S/C14H11Cl2NO3/c15-10-6-9(18)7-11(16)14(10)17-12-4-2-1-3-8(12)5-13(19)20/h1-4,6-7,17-18H,5H2,(H,19,20)/i1D,2D,3D,4D
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5-甲基四氢叶酸二钠盐
- ≥88%
CAS号 : 68792-52-9 Compound CID : 135445749

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: 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*+1/p-2
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