按“信号通路”分类 - 小分子和化合物库

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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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新橙皮甙二氢查尔酮
- ≥98%(T)
CAS号 : 20702-77-6 Compound CID : 30231

分子式: C₂₈H₃₆O₁₅ 分子量: 612.58

IUPAC Name: 1-[4-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-2,6-dihydroxyphenyl]-3-(3-hydroxy-4-methoxyphenyl)propan-1-one

SMILES: CC1C(C(C(C(O1)OC2C(C(C(OC2OC3=CC(=C(C(=C3)O)C(=O)CCC4=CC(=C(C=C4)OC)O)O)CO)O)O)O)O)O

InChIKey: ITVGXXMINPYUHD-CUVHLRMHSA-N

InChI: InChI=1S/C28H36O15/c1-11-21(34)23(36)25(38)27(40-11)43-26-24(37)22(35)19(10-29)42-28(26)41-13-8-16(32)20(17(33)9-13)14(30)5-3-12-4-6-18(39-2)15(31)7-12/h4,6-9,11,19,21-29,31-38H,3,5,10H2,1-2H3/t11-,19+,21-,22+,23+,24-,25+,26+,27-,28+/m0/s1
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丙酮酸
- ≥98%(T)
CAS号 : 127-17-3

分子式: C₃H₄O₃ 分子量: 88.06

IUPAC Name: 2-oxopropanoic acid

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

InChIKey: LCTONWCANYUPML-UHFFFAOYSA-N

InChI: InChI=1S/C3H4O3/c1-2(4)3(5)6/h1H3,(H,5,6)
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D-青霉胺
- ≥98%(T)
CAS号 : 52-67-5 Compound CID : 5852

分子式: C₅H₁₁NO₂S 分子量: 149.21

IUPAC Name: (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid

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

InChIKey: VVNCNSJFMMFHPL-VKHMYHEASA-N

InChI: InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/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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L-犬尿氨酸水合物
- ≥98%(T)
CAS号 : 2922-83-0 Compound CID : 161166

分子式: C₁₀H₁₂N₂O₃·xH2O 分子量: 208.22(as Anhydrous)

IUPAC Name: (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid

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

InChIKey: YGPSJZOEDVAXAB-QMMMGPOBSA-N

InChI: InChI=1S/C10H12N2O3/c11-7-4-2-1-3-6(7)9(13)5-8(12)10(14)15/h1-4,8H,5,11-12H2,(H,14,15)/t8-/m0/s1
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氯胺T 三水合物
- ≥98%(T)
CAS号 : 7080-50-4 Compound CID : 517414

分子式: C₇H₇CINNaO₂S·3H₂O 分子量: 281.69

IUPAC Name: sodium;chloro-(4-methylphenyl)sulfonylazanide;trihydrate

SMILES: CC1=CC=C(C=C1)S(=O)(=O)[N-]Cl.O.O.O.[Na+]

InChIKey: NZYOAGBNMCVQIV-UHFFFAOYSA-N

InChI: InChI=1S/C7H7ClNO2S.Na.3H2O/c1-6-2-4-7(5-3-6)12(10,11)9-8;;;;/h2-5H,1H3;;3*1H2/q-1;+1;;;
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5-氯-8-羟基-7-碘喹啉
- ≥98%(T)
CAS号 : 130-26-7 Compound CID : 2788

分子式: C₉H₅ClINO 分子量: 305.5

IUPAC Name: 5-chloro-7-iodoquinolin-8-ol

SMILES: C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1

InChIKey: QCDFBFJGMNKBDO-UHFFFAOYSA-N

InChI: InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
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乙胺嗪柠檬酸盐
- ≥98%(T)
CAS号 : 1642-54-2 Compound CID : 15432

分子式: C₁₀H₂₁N₃O·C₆H₈O₇ 分子量: 391.42

IUPAC Name: N,N-diethyl-4-methylpiperazine-1-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid

SMILES: CCN(CC)C(=O)N1CCN(CC1)C.C(C(=O)O)C(CC(=O)O)(C(=O)O)O

InChIKey: PGNKBEARDDELNB-UHFFFAOYSA-N

InChI: InChI=1S/C10H21N3O.C6H8O7/c1-4-12(5-2)10(14)13-8-6-11(3)7-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h4-9H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
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2'-氟-2'-脱氧胞苷
- ≥98%(T)
CAS号 : 10212-20-1 Compound CID : 101507

分子式: C₉H₁₂FN₃O₄ 分子量: 245.21

IUPAC Name: 4-amino-1-[(2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidin-2-one

SMILES: C1=CN(C(=O)N=C1N)C2C(C(C(O2)CO)O)F

InChIKey: NVZFZMCNALTPBY-XVFCMESISA-N

InChI: InChI=1S/C9H12FN3O4/c10-6-7(15)4(3-14)17-8(6)13-2-1-5(11)12-9(13)16/h1-2,4,6-8,14-15H,3H2,(H2,11,12,16)/t4-,6-,7-,8-/m1/s1
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L-乳酸
- ≥98%(T)
CAS号 : 79-33-4 Compound CID : 107689

分子式: C₃H₆O₃ 分子量: 90.08

IUPAC Name: (2S)-2-hydroxypropanoic acid

SMILES: C[C@H](O)C(O)=O

InChIKey: JVTAAEKCZFNVCJ-REOHCLBHSA-N

InChI: InChI=1S/C3H6O3/c1-2(4)3(5)6/h2,4H,1H3,(H,5,6)/t2-/m0/s1
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氨基胍盐酸盐
- ≥98%(T)
CAS号 : 1937-19-5 Compound CID : 2734687

分子式: CH₆N₄·HCl 分子量: 110.55

IUPAC Name: 2-aminoguanidine;hydrochloride

SMILES: C(=NN)(N)N.Cl

InChIKey: UBDZFAGVPPMTIT-UHFFFAOYSA-N

InChI: InChI=1S/CH6N4.ClH/c2-1(3)5-4;/h4H2,(H4,2,3,5);1H
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