按“信号通路”分类 - 小分子和化合物库 | 纯度: ≥98%(N), ≥99 atom% 13C,≥97%, ≥75%(HPLC)

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腺苷-5'-二磷酸钠盐
- ≥98%(N)
CAS号 : 16178-48-6 Compound CID : 85315

分子式: C₁₀H₁₃N₅Na₂O₁₀P₂ 分子量: 471.16

IUPAC Name: disodium;[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy-oxidophosphoryl] hydrogen phosphate

SMILES: C1=NC(=C2C(=N1)N(C=N2)C3C(C(C(O3)COP(=O)([O-])OP(=O)(O)[O-])O)O)N.[Na+].[Na+]

InChIKey: ORKSTPSQHZNDSC-IDIVVRGQSA-L

InChI: InChI=1S/C10H15N5O10P2.2Na/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20;;/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20);;/q;2*+1/p-2/t4-,6-,7-,10-;;/m1../s1
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胃蛋白酶抑制剂
- ≥75%(HPLC)
CAS号 : 26305-03-3

分子式: C₃₄H₆₃N₅O₉ 分子量: 685.89

IUPAC Name: (3S,4S)-3-hydroxy-4-[[(2S)-2-[[(3S,4S)-3-hydroxy-6-methyl-4-[[(2S)-3-methyl-2-[[(2S)-3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid

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

InChIKey: FAXGPCHRFPCXOO-LXTPJMTPSA-N

InChI: InChI=1S/C34H63N5O9/c1-17(2)12-23(37-33(47)31(21(9)10)39-34(48)30(20(7)8)38-27(42)14-19(5)6)25(40)15-28(43)35-22(11)32(46)36-24(13-18(3)4)26(41)16-29(44)45/h17-26,30-31,40-41H,12-16H2,1-11H3,(H,35,43)(H,36,46)(H,37,47)(H,38,42)(H,39,48)(H,44,45)/t22-,23-,24-,25-,26-,30-,31-/m0/s1
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哌拉西林钠
- ≥98%(N)
CAS号 : 59703-84-3 Compound CID : 23666879

分子式: C₂₃H₂₆N₅NaO₇S 分子量: 539.54

IUPAC Name: sodium;(2S,5R,6R)-6-[[(2R)-2-[(4-ethyl-2,3-dioxopiperazine-1-carbonyl)amino]-2-phenylacetyl]amino]-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylate

SMILES: CCN1CCN(C(=O)C1=O)C(=O)NC(C2=CC=CC=C2)C(=O)NC3C4N(C3=O)C(C(S4)(C)C)C(=O)[O-].[Na+]

InChIKey: WCMIIGXFCMNQDS-IDYPWDAWSA-M

InChI: InChI=1S/C23H27N5O7S.Na/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28;/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34);/q;+1/p-1/t13-,14-,15+,20-;/m1./s1
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甘草酸二钾水合物
- ≥75%(HPLC)
CAS号 : 68797-35-3 Compound CID : 656852

分子式: C₄₂H₆₀K₂O₁₆·xH₂O 分子量: 899.12(as Anhydrous)

IUPAC Name: dipotassium;(2S,3S,4S,5R,6R)-6-[(2S,3R,4S,5S,6S)-2-[[(3S,4aR,6aR,6bS,8aS,11S,12aR,14aR,14bS)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxylato-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylate

SMILES: CC1(C2CCC3(C(C2(CCC1OC4C(C(C(C(O4)C(=O)[O-])O)O)OC5C(C(C(C(O5)C(=O)[O-])O)O)O)C)C(=O)C=C6C3(CCC7(C6CC(CC7)(C)C(=O)O)C)C)C)C.[K+].[K+]

InChIKey: BIVBRWYINDPWKA-VLQRKCJKSA-L

InChI: InChI=1S/C42H62O16.2K/c1-37(2)21-8-11-42(7)31(20(43)16-18-19-17-39(4,36(53)54)13-12-38(19,3)14-15-41(18,42)6)40(21,5)10-9-22(37)55-35-30(26(47)25(46)29(57-35)33(51)52)58-34-27(48)23(44)24(45)28(56-34)32(49)50;;/h16,19,21-31,34-35,44-48H,8-15,17H2,1-7H3,(H,49,50)(H,51,52)(H,53,54);;/q;2*+1/p-2/t19-,21-,22-,23-,24-,25-,26-,27+,28-,29-,30+,31+,34-,35-,38+,39-,40-,41+,42+;;/m0../s1
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贝诺酯
- ≥98%(N)
CAS号 : 5003-48-5 Compound CID : 21102

分子式: C₁₇H₁₅NO₅ 分子量: 313.31

IUPAC Name: (4-acetamidophenyl) 2-acetyloxybenzoate

SMILES: CC(=O)NC1=CC=C(C=C1)OC(=O)C2=CC=CC=C2OC(=O)C

InChIKey: FEJKLNWAOXSSNR-UHFFFAOYSA-N

InChI: InChI=1S/C17H15NO5/c1-11(19)18-13-7-9-14(10-8-13)23-17(21)15-5-3-4-6-16(15)22-12(2)20/h3-10H,1-2H3,(H,18,19)
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5-乙炔基-2'-脱氧胞苷
- ≥98%(N)
CAS号 : 69075-47-4 Compound CID : 15036533

分子式: C₁₁H₁₃N₃O₄ 分子量: 251.24

IUPAC Name: 4-amino-5-ethynyl-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

SMILES: C#CC1=CN(C(=O)N=C1N)C2CC(C(O2)CO)O

InChIKey: HMJSYXIPNSASJY-DJLDLDEBSA-N

InChI: InChI=1S/C11H13N3O4/c1-2-6-4-14(11(17)13-10(6)12)9-3-7(16)8(5-15)18-9/h1,4,7-9,15-16H,3,5H2,(H2,12,13,17)/t7-,8+,9+/m0/s1
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2-苯基乙酰胺
- ≥98%(N)
CAS号 : 103-81-1 Compound CID : 7680

分子式: C₈H₉NO 分子量: 135.17

IUPAC Name: 2-phenylacetamide

SMILES: C1=CC=C(C=C1)CC(=O)N

InChIKey: LSBDFXRDZJMBSC-UHFFFAOYSA-N

InChI: InChI=1S/C8H9NO/c9-8(10)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,9,10)
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2-酮基-3-(甲基-¹³C)-丁酸-4-¹³C 酸钠盐
- ≥99 atom% 13C,≥97%
CAS号 : 634908-42-2 Compound CID : 23697315

分子式: 13CH₃CH(13CH₃)COCO₂Na 分子量: 140.08

IUPAC Name: sodium;3-(113C)methyl-2-oxo(413C)butanoate

SMILES: CC(C)C(=O)C(=O)[O-].[Na+]

InChIKey: WIQBZDCJCRFGKA-AWQJXPNKSA-M

InChI: InChI=1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1/i1+1,2+1;
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3, 3'-二碘-L-甲状腺素-(苯氧基-¹³C₆) (T2) 盐酸盐
- ≥99 atom% 13C,≥97%
CAS号 : 1217459-13-6 Compound CID : 71310841

分子式: C₉13C₆H₁₃I₂NO₄ 分子量: 531.03

IUPAC Name: (2S)-2-amino-3-[4-(4-hydroxy-3-iodo(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)oxy-3-iodophenyl]propanoic acid

SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)I)OC2=CC(=C(C=C2)O)I

InChIKey: CPCJBZABTUOGNM-USQDWSSZSA-N

InChI: InChI=1S/C15H13I2NO4/c16-10-7-9(2-3-13(10)19)22-14-4-1-8(5-11(14)17)6-12(18)15(20)21/h1-5,7,12,19H,6,18H2,(H,20,21)/t12-/m0/s1/i2+1,3+1,7+1,9+1,10+1,13+1
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L-缬氨酸-¹³C₅
- ≥99 atom% 13C,≥97%
CAS号 : 55443-52-2

分子式: (13CH₃)₂13CH13CH(NH₂)13COOH 分子量: 122.11

SMILES: [13CH3][13CH]([13CH3])[13C@H](N)[13C](O)=O

InChIKey: KZSNJWFQEVHDMF-JRGPAWSWSA-N

InChI: 1S/C5H11NO2/c1-3(2)4(6)5(7)8/h3-4H,6H2,1-2H3,(H,7,8)/t4-/m0/s1/i1+1,2+1,3+1,4+1,5+1
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柠檬酸-¹³C₆
- ≥99 atom% 13C,≥97%
CAS号 : 287389-42-8 Compound CID : 16217547

分子式: HO13C(13CO₂H)(13CH₂13CO₂H)₂ 分子量: 198.08

IUPAC Name: 2-hydroxy(1,2,3-13C3)propane-1,2,3-tricarboxylic acid

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

InChIKey: KRKNYBCHXYNGOX-IDEBNGHGSA-N

InChI: InChI=1S/C6H8O7/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)/i1+1,2+1,3+1,4+1,5+1,6+1
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甲酰胺-¹³C
- ≥99 atom% 13C,≥97%
CAS号 : 51284-91-4 Compound CID : 16213436

分子式: 13CH₃NO 分子量: 46.03

IUPAC Name: aminoformaldehyde

SMILES: C(=O)N

InChIKey: ZHNUHDYFZUAESO-OUBTZVSYSA-N

InChI: InChI=1S/CH3NO/c2-1-3/h1H,(H2,2,3)/i1+1
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