按“信号通路”分类 - 小分子和化合物库

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甘油单油酸酯
- ≥99%
CAS号: 111-03-5 EC号: 203-809-9

分子式: C₂₁H₄₀O₄ 分子量: 356.54

IUPAC Name: 2,3-dihydroxypropyl (Z)-octadec-9-enoate

SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O

InChIKey: RZRNAYUHWVFMIP-KTKRTIGZSA-N

InChI: 1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
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甘油单油酸酯
- ≥50%(HPLC)
CAS号: 111-03-5 EC号: 203-809-9

分子式: C₂₁H₄₀O₄ 分子量: 356.54

IUPAC Name: 2,3-dihydroxypropyl (Z)-octadec-9-enoate

SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(CO)O

InChIKey: RZRNAYUHWVFMIP-KTKRTIGZSA-N

InChI: 1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9-
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MBX-2982
- ≥98%
CAS号: 1037792-44-1

分子式: C₂₂H₂₄N₈OS 分子量: 448.54

IUPAC Name: 2-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,3-thiazole

SMILES: CCC1=CN=C(N=C1)N2CCC(CC2)C3=NC(=CS3)COC4=CC=C(C=C4)N5C=NN=N5

InChIKey: NFTMKHWBOINJGM-UHFFFAOYSA-N

InChI: 1S/C22H24N8OS/c1-2-16-11-23-22(24-12-16)29-9-7-17(8-10-29)21-26-18(14-32-21)13-31-20-5-3-19(4-6-20)30-15-25-27-28-30/h3-6,11-12,14-15,17H,2,7-10,13H2,1H3
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十六酰胺乙醇
- ≥98%
CAS号: 544-31-0

分子式: C₁₈H₃₇NO₂ 分子量: 299.492

IUPAC Name: N-(2-hydroxyethyl)hexadecanamide

SMILES: CCCCCCCCCCCCCCCC(=O)NCCO

InChIKey: HXYVTAGFYLMHSO-UHFFFAOYSA-N

InChI: 1S/C18H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)19-16-17-20/h20H,2-17H2,1H3,(H,19,21)
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1-棕榈酰-sn-甘油-3-磷酸胆碱
- ≥99%
CAS号: 17364-16-8

分子式: C₂₄H₅₀NO₇P 分子量: 495.63

IUPAC Name: [(2R)-3-hexadecanoyloxy-2-hydroxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

SMILES: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O

InChIKey: ASWBNKHCZGQVJV-HSZRJFAPSA-N

InChI: 1S/C24H50NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24(27)30-21-23(26)22-32-33(28,29)31-20-19-25(2,3)4/h23,26H,5-22H2,1-4H3/t23-/m1/s1
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1-硬脂酰-sn-甘油-3-磷酰胆碱
- ≥99%
CAS号: 19420-57-6

分子式: C₂₆H₅₄NO₇P 分子量: 523.683

IUPAC Name: [(2R)-2-hydroxy-3-octadecanoyloxypropyl] 2-(trimethylazaniumyl)ethyl phosphate

SMILES: CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)O

InChIKey: IHNKQIMGVNPMTC-RUZDIDTESA-N

InChI: 1S/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/t25-/m1/s1
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地诺前列素
- ≥95%
CAS号: 551-11-1

分子式: C₂₀H₃₄O₅ 分子量: 354.49

IUPAC Name: (Z)-7-[(1R,2R,3R,5S)-3,5-dihydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoic acid

SMILES: CCCCCC(C=CC1C(CC(C1CC=CCCCC(=O)O)O)O)O

InChIKey: PXGPLTODNUVGFL-YNNPMVKQSA-N

InChI: 1S/C20H34O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-19,21-23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,18-,19+/m0/s1
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油酰单乙醇胺
- ≥95%
CAS号: 111-58-0 EC号: 203-884-8

分子式: C₂₀H₃₉NO₂ 分子量: 325.529

IUPAC Name: (Z)-N-(2-hydroxyethyl)octadec-9-enamide

SMILES: CCCCCCCCC=CCCCCCCCC(=O)NCCO

InChIKey: BOWVQLFMWHZBEF-KTKRTIGZSA-N

InChI: 1S/C20H39NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(23)21-18-19-22/h9-10,22H,2-8,11-19H2,1H3,(H,21,23)/b10-9-
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地诺前列酮
- ≥98%
CAS号: 363-24-6

分子式: C₂₀H₃₂O₅ 分子量: 352.47

IUPAC Name: (Z)-7-[(1R,2R,3R)-3-hydroxy-2-[(E,3S)-3-hydroxyoct-1-enyl]-5-oxocyclopentyl]hept-5-enoic acid

SMILES: CCCCCC(C=CC1C(CC(=O)C1CC=CCCCC(=O)O)O)O

InChIKey: XEYBRNLFEZDVAW-ARSRFYASSA-N

InChI: 1S/C20H32O5/c1-2-3-6-9-15(21)12-13-17-16(18(22)14-19(17)23)10-7-4-5-8-11-20(24)25/h4,7,12-13,15-17,19,21,23H,2-3,5-6,8-11,14H2,1H3,(H,24,25)/b7-4-,13-12+/t15-,16+,17+,19+/m0/s1
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拉罗皮兰
- ≥99%
CAS号: 571170-77-9

分子式: C₂₁H₁₉ClFNO₄S 分子量: 435.9

IUPAC Name: 2-[(3R)-4-[(4-chlorophenyl)methyl]-7-fluoro-5-methylsulfonyl-2,3-dihydro-1H-cyclopenta[b]indol-3-yl]acetic acid

SMILES: CS(=O)(=O)C1=CC(=CC2=C1N(C3=C2CCC3CC(=O)O)CC4=CC=C(C=C4)Cl)F

InChIKey: NXFFJDQHYLNEJK-CYBMUJFWSA-N

InChI: 1S/C21H19ClFNO4S/c1-29(27,28)18-10-15(23)9-17-16-7-4-13(8-19(25)26)20(16)24(21(17)18)11-12-2-5-14(22)6-3-12/h2-3,5-6,9-10,13H,4,7-8,11H2,1H3,(H,25,26)/t13-/m1/s1
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塞曲司特
- ≥97%
CAS号: 112665-43-7 Compound CID : 2449

分子式: C₂₂H₂₆O₄ 分子量: 354.45

IUPAC Name: 7-phenyl-7-(2,4,5-trimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl)heptanoic acid

SMILES: CC1=C(C(=O)C(=C(C1=O)C)C(CCCCCC(=O)O)C2=CC=CC=C2)C

InChIKey: ZBVKEHDGYSLCCC-UHFFFAOYSA-N

InChI: 1S/C22H26O4/c1-14-15(2)22(26)20(16(3)21(14)25)18(17-10-6-4-7-11-17)12-8-5-9-13-19(23)24/h4,6-7,10-11,18H,5,8-9,12-13H2,1-3H3,(H,23,24)
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AR 231453,GPR119激动剂
- ≥99%
CAS号: 733750-99-7

分子式: C₂₁H₂₄FN₇O₅S 分子量: 505.53

IUPAC Name: N-(2-fluoro-4-methylsulfonylphenyl)-5-nitro-6-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pyrimidin-4-amine

SMILES: CC(C)C1=NOC(=N1)C2CCN(CC2)C3=NC=NC(=C3[N+](=O)[O-])NC4=C(C=C(C=C4)S(=O)(=O)C)F

InChIKey: DGBKNTVAKIFYNU-UHFFFAOYSA-N

InChI: 1S/C21H24FN7O5S/c1-12(2)18-26-21(34-27-18)13-6-8-28(9-7-13)20-17(29(30)31)19(23-11-24-20)25-16-5-4-14(10-15(16)22)35(3,32)33/h4-5,10-13H,6-9H2,1-3H3,(H,23,24,25)
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