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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油酸乙酯
- ≥75%(GC)
CAS号 : 111-62-6 Compound CID : 5363269

分子式: C₂₀H₃₈O₂ 分子量: 310.51

IUPAC Name: ethyl (Z)-octadec-9-enoate

SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC

InChIKey: LVGKNOAMLMIIKO-QXMHVHEDSA-N

InChI: InChI=1S/C20H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h11-12H,3-10,13-19H2,1-2H3/b12-11-
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NYC-488,新型钙蛋白酶抑制剂
- ≥94%
CAS号 : 1448429-06-8 Compound CID : 71660816

分子式: C₁₉H₁₇FN₆O₅S 分子量: 460.4

IUPAC Name: (2S,3S)-3-[[(2S)-1-[[1-(4-fluorophenyl)triazol-4-yl]methylamino]-1-oxo-3-(1,3-thiazol-4-yl)propan-2-yl]carbamoyl]oxirane-2-carboxylic acid

SMILES: C1=CC(=CC=C1N2C=C(N=N2)CNC(=O)C(CC3=CSC=N3)NC(=O)C4C(O4)C(=O)O)F

InChIKey: IPWMYOJQVHCYRC-JYJNAYRXSA-N

InChI: InChI=1S/C19H17FN6O5S/c20-10-1-3-13(4-2-10)26-7-12(24-25-26)6-21-17(27)14(5-11-8-32-9-22-11)23-18(28)15-16(31-15)19(29)30/h1-4,7-9,14-16H,5-6H2,(H,21,27)(H,23,28)(H,29,30)/t14-,15-,16-/m0/s1
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奥美拉唑砜
- ≥94%
CAS号 : 88546-55-8 Compound CID : 145900

分子式: C₁₇H₁₉N₃O₄S 分子量: 361.42

IUPAC Name: 6-methoxy-2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfonyl]-1H-benzimidazole

SMILES: CC1=CN=C(C(=C1OC)C)CS(=O)(=O)C2=NC3=C(N2)C=C(C=C3)OC

InChIKey: IXEQEYRTSRFZEO-UHFFFAOYSA-N

InChI: InChI=1S/C17H19N3O4S/c1-10-8-18-15(11(2)16(10)24-4)9-25(21,22)17-19-13-6-5-12(23-3)7-14(13)20-17/h5-8H,9H2,1-4H3,(H,19,20)
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腔肠素
- ≥94%
CAS号 : 55779-48-1 Compound CID : 135445694

分子式: C₂₆H₂₁N₃O₃ 分子量: 423.46

IUPAC Name: 8-benzyl-6-(4-hydroxyphenyl)-2-[(4-hydroxyphenyl)methyl]imidazo[1,2-a]pyrazin-3-ol

SMILES: C1=CC=C(C=C1)CC2=NC(=CN3C2=NC(=C3O)CC4=CC=C(C=C4)O)C5=CC=C(C=C5)O

InChIKey: LNCOEGVEEQDKGX-UHFFFAOYSA-N

InChI: InChI=1S/C26H21N3O3/c30-20-10-6-18(7-11-20)15-23-26(32)29-16-24(19-8-12-21(31)13-9-19)27-22(25(29)28-23)14-17-4-2-1-3-5-17/h1-13,16,30-32H,14-15H2
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苯甲酸苄酯
- ≥94%
CAS号 : 120-51-4 Compound CID : 2345

分子式: C₁₄H₁₂O₂ 分子量: 212.24

IUPAC Name: benzyl benzoate

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

InChIKey: SESFRYSPDFLNCH-UHFFFAOYSA-N

InChI: InChI=1S/C14H12O2/c15-14(13-9-5-2-6-10-13)16-11-12-7-3-1-4-8-12/h1-10H,11H2
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3-甲基-2-丁烯醛
- ≥94%
CAS号 : 107-86-8

分子式: C₅H₈O 分子量: 84.12

IUPAC Name: 3-methylbut-2-enal

SMILES: CC(=CC=O)C

InChIKey: SEPQTYODOKLVSB-UHFFFAOYSA-N

InChI: InChI=1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3
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黄体酮
- ≥94%
CAS号 : 57-83-0 Compound CID : 5994

分子式: C₂₁H₃₀O₂ 分子量: 314.47

IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

SMILES: CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C

InChIKey: RJKFOVLPORLFTN-LEKSSAKUSA-N

InChI: InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
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