按“信号通路”分类 - 小分子和化合物库

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N-乙酰-L-半胱氨酸（ NAC）
- ≥99%
CAS号: 616-91-1 EC号: 210-498-3

分子式: C₅H₉NO₃S 分子量: 163.19

IUPAC Name: (2R)-2-acetamido-3-sulfanylpropanoic acid

SMILES: CC(=O)N[C@@H](CS)C(O)=O

InChIKey: PWKSKIMOESPYIA-BYPYZUCNSA-N

InChI: 1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/t4-/m0/s1
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17-AAG,HSP90抑制剂
- ≥98%
CAS号: 75747-14-7

分子式: C₃₁H₄₃N₃O₈ 分子量: 585.69

IUPAC Name: [(4E,6Z,8S,9S,10E,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-(prop-2-enylamino)-2-azabicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl] carbamate

SMILES: CC1CC(C(C(C=C(C(C(C=CC=C(C(=O)NC2=CC(=O)C(=C(C1)C2=O)NCC=C)C)OC)OC(=O)N)C)C)O)OC

InChIKey: AYUNIORJHRXIBJ-TXHRRWQRSA-N

InChI: 1S/C31H43N3O8/c1-8-12-33-26-21-13-17(2)14-25(41-7)27(36)19(4)15-20(5)29(42-31(32)39)24(40-6)11-9-10-18(3)30(38)34-22(28(21)37)16-23(26)35/h8-11,15-17,19,24-25,27,29,33,36H,1,12-14H2,2-7H3,(H2,32,39)(HSee more
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1-花生酰-2-羟基-sn-甘油-3-磷酸胆碱
- ≥99%
CAS号: 108341-80-6

分子式: C₂₈H₅₈NO₇P 分子量: 551.736

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

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

InChIKey: UATOAILWGVYRQS-HHHXNRCGSA-N

InChI: 1S/C28H58NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-28(31)34-25-27(30)26-36-37(32,33)35-24-23-29(2,3)4/h27,30H,5-26H2,1-4H3/t27-/m1/s1
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腺甙脱氨酶来源于小牛脾
- ≥15 units/mg dry weight
CAS号: 9026-93-1

SMILES: CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCCCC=CCCCCCCCCCC
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阿卡德辛
- ≥98%
CAS号: 2627-69-2 EC号: 220-097-5

分子式: C₉H₁₄N₄O₅ 分子量: 258.23

IUPAC Name: 5-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]imidazole-4-carboxamide

SMILES: C1=NC(=C(N1C2C(C(C(O2)CO)O)O)N)C(=O)N

InChIKey: RTRQQBHATOEIAF-UUOKFMHZSA-N

InChI: 1S/C9H14N4O5/c10-7-4(8(11)17)12-2-13(7)9-6(16)5(15)3(1-14)18-9/h2-3,5-6,9,14-16H,1,10H2,(H2,11,17)/t3-,5-,6-,9-/m1/s1
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安塞蜜
- ≥98%
CAS号: 55589-62-3 EC号: 259-715-3

分子式: C₄H₄KNO₄S 分子量: 201.24

IUPAC Name: potassium;6-methyl-2,2-dioxo-1-oxa-2λ6-thia-3-azanidacyclohex-5-en-4-one

SMILES: CC1=CC(=O)[N-]S(=O)(=O)O1.[K+]

InChIKey: WBZFUFAFFUEMEI-UHFFFAOYSA-M

InChI: 1S/C4H5NO4S.K/c1-3-2-4(6)5-10(7,8)9-3;/h2H,1H3,(H,5,6);/q;+1/p-1
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柠檬酸铁铵
- Fe 20.5-22.5%
CAS号: 1185-57-5 EC号: 214-686-6 Compound CID : 14457

分子式: C₆H₈FeNO₇ 分子量: 261.98

IUPAC Name: azane;2-hydroxypropane-1,2,3-tricarboxylate;iron(3+)

SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.N.[Fe+3]

InChIKey: FRHBOQMZUOWXQL-UHFFFAOYSA-K

InChI: 1S/C6H8O7.Fe.H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);;1H3/q;+3;/p-3
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脱水淫羊藿素
- ≥99%(HPLC)
CAS号: 38226-86-7

分子式: C₂₁H₂₀O₆ 分子量: 368.38

IUPAC Name: 3,5-dihydroxy-2-(4-methoxyphenyl)-8,8-dimethyl-9,10-dihydropyrano[2,3-h]chromen-4-one

SMILES: CC1(CCC2=C(O1)C=C(C3=C2OC(=C(C3=O)O)C4=CC=C(C=C4)OC)O)C

InChIKey: PPCHTBBOSVKORE-UHFFFAOYSA-N

InChI: 1S/C21H20O6/c1-21(2)9-8-13-15(27-21)10-14(22)16-17(23)18(24)19(26-20(13)16)11-4-6-12(25-3)7-5-11/h4-7,10,22,24H,8-9H2,1-3H3
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阿西替尼
- ≥99%
CAS号: 319460-85-0

分子式: C₂₂H₁₈N₄OS 分子量: 386.47

IUPAC Name: N-methyl-2-[[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]sulfanyl]benzamide

SMILES: CNC(=O)C1=CC=CC=C1SC2=CC3=C(C=C2)C(=NN3)C=CC4=CC=CC=N4

InChIKey: RITAVMQDGBJQJZ-FMIVXFBMSA-N

InChI: 1S/C22H18N4OS/c1-23-22(27)18-7-2-3-8-21(18)28-16-10-11-17-19(25-26-20(17)14-16)12-9-15-6-4-5-13-24-15/h2-14H,1H3,(H,23,27)(H,25,26)/b12-9+
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N-乙酰-D-半乳糖胺
- ≥98%
CAS号: 1811-31-0 EC号: 217-321-9

分子式: C₈H₁₅NO₆ 分子量: 221.21

IUPAC Name: N-[(2R,3R,4R,5R)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide

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

InChIKey: MBLBDJOUHNCFQT-OSMVPFSASA-N

InChI: 1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8-/m0/s1
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积雪草苷
- ≥98%
CAS号: 16830-15-2 EC号: 240-851-7

分子式: C₄₈H₇₈O₁₉ 分子量: 959.12

IUPAC Name: [(2S,3R,4S,5S,6R)-6-[[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (1S,2R,4aS,6aR,6aS,6bR,See more

SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1C)C)C(=O)OC6C(C(C(C(O6)COC7C(C(C(C(O7)CO)OC8C(C(C(C(O8)C)O)O)O)O)O)O)O)O

InChIKey: WYQVAPGDARQUBT-FGWHUCSPSA-N

InChI: 1S/C48H78O19/c1-20-10-13-48(15-14-46(6)23(29(48)21(20)2)8-9-28-44(4)16-24(51)39(60)45(5,19-50)27(44)11-12-47(28,46)7)43(61)67-42-36(58)33(55)31(53)26(65-42)18-62-40-37(59)34(56)38(25(17-49)64-40)66-41See more
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牛蒡子苷元
- ≥98%
CAS号: 7770-78-7

分子式: C₂₁H₂₄O₆ 分子量: 372.41

IUPAC Name: (3R,4R)-4-[(3,4-dimethoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one

SMILES: COC1=C(C=C(C=C1)CC2COC(=O)C2CC3=CC(=C(C=C3)O)OC)OC

InChIKey: NQWVSMVXKMHKTF-JKSUJKDBSA-N

InChI: 1S/C21H24O6/c1-24-18-7-5-13(11-20(18)26-3)8-15-12-27-21(23)16(15)9-14-4-6-17(22)19(10-14)25-2/h4-7,10-11,15-16,22H,8-9,12H2,1-3H3/t15-,16+/m0/s1
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