按“信号通路”分类 - 小分子和化合物库 | 纯度: ≥95%(LC/MS-UV), ≥75%, ≥55%

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吖啶橙
- ≥75%
CAS号 : 494-38-2 Compound CID : 62344

分子式: C₁₇H₁₉N₃ 分子量: 265.35

IUPAC Name: 3-N,3-N,6-N,6-N-tetramethylacridine-3,6-diamine

SMILES: CN(C)C1=CC2=C(C=C1)C=C3C=CC(=CC3=N2)N(C)C

InChIKey: DPKHZNPWBDQZCN-UHFFFAOYSA-N

InChI: InChI=1S/C17H19N3/c1-19(2)14-7-5-12-9-13-6-8-15(20(3)4)11-17(13)18-16(12)10-14/h5-11H,1-4H3
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5-磷酰核糖-1-焦磷酸钠盐
- ≥75%
CAS号 : 108321-05-7 Compound CID : 92043170

分子式: C₅H₈Na₅O₁₄P₃ 分子量: 499.98

IUPAC Name: tetrasodium;[[(3R,4S,5R)-3,4-dihydroxy-5-[[hydroxy(oxido)phosphoryl]oxymethyl]oxolan-2-yl]oxy-oxidophosphoryl] phosphate

SMILES: C(C1C(C(C(O1)OP(=O)([O-])OP(=O)([O-])[O-])O)O)OP(=O)(O)[O-].[Na+].[Na+].[Na+].[Na+]

InChIKey: QZAPPJHVNYCTAX-CKJQBBATSA-J

InChI: InChI=1S/C5H13O14P3.4Na/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13;;;;/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13);;;;/q;4*+1/p-4/t2-,3-,4-,5?;;;;/m1..../s1
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龙脑
- ≥55%
CAS号 : 507-70-0 Compound CID : 64685

分子式: C₁₀H₁₈O 分子量: 154.25

IUPAC Name: 1,7,7-trimethylbicyclo[2.2.1]heptan-2-ol

SMILES: CC1(C2CCC1(C(C2)O)C)C

InChIKey: DTGKSKDOIYIVQL-UHFFFAOYSA-N

InChI: InChI=1S/C10H18O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7-8,11H,4-6H2,1-3H3
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乙氧基喹啉
- ≥75%
CAS号 : 91-53-2 Compound CID : 3293

分子式: C₁₄H₁₉NO 分子量: 217.31

IUPAC Name: 6-ethoxy-2,2,4-trimethyl-1H-quinoline

SMILES: CCOC1=CC2=C(C=C1)NC(C=C2C)(C)C

InChIKey: DECIPOUIJURFOJ-UHFFFAOYSA-N

InChI: InChI=1S/C14H19NO/c1-5-16-11-6-7-13-12(8-11)10(2)9-14(3,4)15-13/h6-9,15H,5H2,1-4H3
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松香酸
- ≥75%
CAS号 : 514-10-3 Compound CID : 10569

分子式: C₂₀H₃₀O₂ 分子量: 302.45

IUPAC Name: (1R,4aR,4bR,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,4b,5,6,10,10a-octahydrophenanthrene-1-carboxylic acid

SMILES: CC(C)C1=CC2=CCC3C(C2CC1)(CCCC3(C)C(=O)O)C

InChIKey: RSWGJHLUYNHPMX-ONCXSQPRSA-N

InChI: InChI=1S/C20H30O2/c1-13(2)14-6-8-16-15(12-14)7-9-17-19(16,3)10-5-11-20(17,4)18(21)22/h7,12-13,16-17H,5-6,8-11H2,1-4H3,(H,21,22)/t16-,17+,19+,20+/m0/s1
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月桂烯
- ≥75%
CAS号 : 123-35-3 Compound CID : 31253

分子式: C₁₀H₁₆ 分子量: 136.23

IUPAC Name: 7-methyl-3-methylideneocta-1,6-diene

SMILES: CC(=CCCC(=C)C=C)C

InChIKey: UAHWPYUMFXYFJY-UHFFFAOYSA-N

InChI: InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7H,1,4,6,8H2,2-3H3
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辅酶 A,三锂盐,水合物
- ≥75%
CAS号 : 18439-24-2 Compound CID : 16219106

分子式: C₂₁H₃₃N₇O₁₆P₃S • XLi [XH₂O] 分子量: 764.5（free basis）

IUPAC Name: trilithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-2-[[[[3-hydroxy-2,2-dimethyl-4-oxo-4-[[3-oxo-3-(2-sulfanylethylamino)propyl]amino]butoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxymethyl]oxolan-3-yl] hydrogen phosphate

SMILES: [Li+].[Li+].[Li+].CC(C)(COP(=O)([O-])OP(=O)([O-])OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)[O-])C(C(=O)NCCC(=O)NCCS)O

InChIKey: QSCBPHBAFBVXRK-HJKJOZROSA-K

InChI: InChI=1S/C21H36N7O16P3S.3Li/c1-21(2,16(31)19(32)24-4-3-12(29)23-5-6-48)8-41-47(38,39)44-46(36,37)40-7-11-15(43-45(33,34)35)14(30)20(42-11)28-10-27-13-17(22)25-9-26-18(13)28;;;/h9-11,14-16,20,30-31,48H,3-8H2,1-2H3,(H,23,29)(H,24,32)(H,36,37)(H,38,39)(H2,22,25,26)(H2,33,34,35);;;/q;3*+1/p-3/t11-,14-,15-,16?,20-;;;/m1.../s1
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脱氢松香胺
- ≥55%
CAS号 : 1446-61-3

分子式: C₂₀H₃₁N 分子量: 285.48

IUPAC Name: [(1R,4aS,10aR)-1,4a-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthren-1-yl]methanamine

SMILES: CC(C)C1=CC2=C(C=C1)C3(CCCC(C3CC2)(C)CN)C

InChIKey: JVVXZOOGOGPDRZ-SLFFLAALSA-N

InChI: InChI=1S/C20H31N/c1-14(2)15-6-8-17-16(12-15)7-9-18-19(3,13-21)10-5-11-20(17,18)4/h6,8,12,14,18H,5,7,9-11,13,21H2,1-4H3/t18-,19-,20+/m0/s1
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N-(3-马来酰亚胺基丙酰基)生物胞素
- ≥75%
CAS号 : 102849-12-7 Compound CID : 127195

分子式: C₂₃H₃₃N₅O₇S 分子量: 523.6

IUPAC Name: (2S)-6-[5-[(3aS,4S,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]-2-[3-(2,5-dioxopyrrol-1-yl)propanoylamino]hexanoic acid

SMILES: C1C2C(C(S1)CCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCN3C(=O)C=CC3=O)NC(=O)N2

InChIKey: KWNGAZCDAJSVLC-OSAWLIQMSA-N

InChI: InChI=1S/C23H33N5O7S/c29-17(7-2-1-6-16-21-15(13-36-16)26-23(35)27-21)24-11-4-3-5-14(22(33)34)25-18(30)10-12-28-19(31)8-9-20(28)32/h8-9,14-16,21H,1-7,10-13H2,(H,24,29)(H,25,30)(H,33,34)(H2,26,27,35)/t14-,15-,16-,21-/m0/s1
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福立替索林（非对映异构体混合物）
- ≥75%
CAS号 : 3432-99-3 Compound CID : 135400185

分子式: C₂₀H₂₃N₇O₆ 分子量: 457.44

IUPAC Name: (2S)-2-[[4-(3-amino-1-oxo-2,5,6,6a,7,9-hexahydroimidazo[1,5-f]pteridin-8-yl)benzoyl]amino]pentanedioic acid

SMILES: C1C2CN(CN2C3=C(N1)N=C(NC3=O)N)C4=CC=C(C=C4)C(=O)NC(CCC(=O)O)C(=O)O

InChIKey: QYNUQALWYRSVHF-ABLWVSNPSA-N

InChI: InChI=1S/C20H23N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,12-13H,5-9H2,(H,23,30)(H,28,29)(H,32,33)(H4,21,22,24,25,31)/t12?,13-/m0/s1
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聚半乳糖醛酸钠盐
- ≥75%
CAS号 : 9049-37-0 Compound CID : 86278167

分子式: C₁₈H₂₃NaO₁₉-₂ 分子量: 566.4

IUPAC Name: sodium;(2S,3R,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-carboxylato-6-[(2S,3R,4R,5R,6S)-2-carboxylato-4,5,6-trihydroxyoxan-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate

SMILES: C1(C(C(OC(C1O)OC2C(C(C(OC2C(=O)[O-])OC3C(C(C(OC3C(=O)[O-])O)O)O)O)O)C(=O)[O-])O)O.[Na+]

InChIKey: NUCACHWVTZGFJN-PYSZDIKSSA-K

InChI: InChI=1S/C18H26O19.Na/c19-1-2(20)10(13(26)27)36-17(6(1)24)35-9-4(22)7(25)18(37-12(9)15(30)31)34-8-3(21)5(23)16(32)33-11(8)14(28)29;/h1-12,16-25,32H,(H,26,27)(H,28,29)(H,30,31);/q;+1/p-3/t1-,2+,3+,4+,5+,6+,7+,8+,9+,10-,11-,12-,16-,17-,18-;/m0./s1
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伊利西林C
- ≥95%(LC/MS-UV)
CAS号 : 22562-67-0 Compound CID : 24094116

分子式: C₂₃H₃₁ClO₄ 分子量: 406.94

IUPAC Name: 5-chloro-2,4-dihydroxy-6-methyl-3-[(E)-3-methyl-5-[(1S,2R,6R)-1,2,6-trimethyl-3-oxocyclohexyl]pent-2-enyl]benzaldehyde

SMILES: CC1CCC(=O)C(C1(C)CCC(=CCC2=C(C(=C(C(=C2O)Cl)C)C=O)O)C)C

InChIKey: IJEHYEVNWOYGMS-WGUBEYSISA-N

InChI: InChI=1S/C23H31ClO4/c1-13(10-11-23(5)14(2)7-9-19(26)16(23)4)6-8-17-21(27)18(12-25)15(3)20(24)22(17)28/h6,12,14,16,27-28H,7-11H2,1-5H3/b13-6+/t14-,16+,23+/m1/s1
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