按“信号通路”分类 - 小分子和化合物库 | 纯度: ≥60%, ≥97 atom% D, ≥92%

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寡霉素
- ≥92%
CAS号 : 1404-19-9 Compound CID : 5281899

分子式: C₄₅H₇₄O₁₁ 分子量: 791.07(for Oligomycin A)

IUPAC Name: (1S,4E,5'R,6R,6'R,7S,8R,10S,11S,12R,14S,15R,16S,18E,20E,22S,25R,27S,28R,29S)-22-ethyl-7,11,14,15-tetrahydroxy-6'-[(2S)-2-hydroxypropyl]-5',6,8,10,12,14,16,28,29-nonamethylspiro[2,26-dioxabicyclo[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione

SMILES: CCC1CCC2C(C(C(C3(O2)CCC(C(O3)CC(C)O)C)C)OC(=O)C=CC(C(C(C(=O)C(C(C(C(=O)C(C(C(CC=CC=C1)C)O)(C)O)C)O)C)C)O)C)C

InChIKey: MNULEGDCPYONBU-WMBHJXFZSA-N

InChI: InChI=1S/C45H74O11/c1-12-34-17-15-13-14-16-27(4)42(51)44(11,53)43(52)32(9)40(50)31(8)39(49)30(7)38(48)26(3)18-21-37(47)54-41-29(6)35(20-19-34)55-45(33(41)10)23-22-25(2)36(56-45)24-28(5)46/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1
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三油酸甘油酯
- ≥60%
CAS号 : 122-32-7

分子式: C₅₇H₁₀₄O₆ 分子量: 885.44

IUPAC Name: 2,3-bis[[(Z)-octadec-9-enoyl]oxy]propyl (Z)-octadec-9-enoate

SMILES: CCCCCCCCC=CCCCCCCCC(=O)OCC(COC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC

InChIKey: PHYFQTYBJUILEZ-IUPFWZBJSA-N

InChI: InChI=1S/C57H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h25-30,54H,4-24,31-53H2,1-3H3/b28-25-,29-26-,30-27-
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2,4-二氯-3,5-二甲基苯酚
- ≥92%
- Containing 6% isomer
CAS号 : 133-53-9 Compound CID : 8621

分子式: C₈H₈Cl₂O 分子量: 191.05

IUPAC Name: 2,4-dichloro-3,5-dimethylphenol

SMILES: CC1=CC(=C(C(=C1Cl)C)Cl)O

InChIKey: IYOLBFFHPZOQGW-UHFFFAOYSA-N

InChI: InChI=1S/C8H8Cl2O/c1-4-3-6(11)8(10)5(2)7(4)9/h3,11H,1-2H3
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普伐他汀内酯
- ≥92%
CAS号 : 85956-22-5 Compound CID : 9931182

分子式: C₂₃H₃₄O₆ 分子量: 406.51

IUPAC Name: [(1S,3S,7S,8S,8aR)-3-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate

SMILES: CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)O

InChIKey: OQARDMYXSOFTLN-PZAWKZKUSA-N

InChI: InChI=1S/C23H34O6/c1-4-13(2)23(27)29-20-11-16(24)9-15-6-5-14(3)19(22(15)20)8-7-18-10-17(25)12-21(26)28-18/h5-6,9,13-14,16-20,22,24-25H,4,7-8,10-12H2,1-3H3/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1
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LYG-202
- ≥92%
CAS号 : 1175077-25-4 Compound CID : 44156930

分子式: C₂₅H₃₀N₂O₅ 分子量: 438.52

IUPAC Name: 5-hydroxy-8-methoxy-7-[4-(4-methylpiperazin-1-yl)butoxy]-2-phenylchromen-4-one

SMILES: CN1CCN(CC1)CCCCOC2=C(C3=C(C(=C2)O)C(=O)C=C(O3)C4=CC=CC=C4)OC

InChIKey: ICGYSEWPMDWBIL-UHFFFAOYSA-N

InChI: InChI=1S/C25H30N2O5/c1-26-11-13-27(14-12-26)10-6-7-15-31-22-17-20(29)23-19(28)16-21(18-8-4-3-5-9-18)32-25(23)24(22)30-2/h3-5,8-9,16-17,29H,6-7,10-15H2,1-2H3
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磷酸肌酸
- ≥92%
CAS号 : 67-07-2

分子式: C₄H₁₀N₃O₅P 分子量: 211.11

IUPAC Name: 2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]acetic acid

SMILES: CN(CC(=O)O)C(=NP(=O)(O)O)N

InChIKey: DRBBFCLWYRJSJZ-UHFFFAOYSA-N

InChI: InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)
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2-萘酚-1,3,4,5,6,7,8-d₇
- ≥97 atom% D
CAS号 : 78832-54-9 Compound CID : 16213383

分子式: C₁₀D₇HO 分子量: 151.21

IUPAC Name: 1,3,4,5,6,7,8-heptadeuterionaphthalen-2-ol

SMILES: C1=CC=C2C=C(C=CC2=C1)O

InChIKey: JWAZRIHNYRIHIV-GSNKEKJESA-N

InChI: InChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H/i1D,2D,3D,4D,5D,6D,7D
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L-色氨酸-(吲哚-d₅)
- ≥97 atom% D
CAS号 : 62595-11-3 Compound CID : 12209747

分子式: C₁₁D₅H₇N₂O₂ 分子量: 209.26

IUPAC Name: (2S)-2-amino-3-(2,4,5,6,7-pentadeuterio-1H-indol-3-yl)propanoic acid

SMILES: C1=CC=C2C(=C1)C(=CN2)CC(C(=O)O)N

InChIKey: QIVBCDIJIAJPQS-HLTLGYGQSA-N

InChI: InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1/i1D,2D,3D,4D,6D
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脱氢枞胺
- ≥60%
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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4,4-二甲氧基-2-丁酮
- ≥92%
CAS号 : 5436-21-5 Compound CID : 228548

分子式: C₆H₁₂O₃ 分子量: 132.16

IUPAC Name: 4,4-dimethoxybutan-2-one

SMILES: CC(=O)CC(OC)OC

InChIKey: PJCCSZUMZMCWSX-UHFFFAOYSA-N

InChI: InChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3
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D-(+)-麦芽糖一水合物
- ≥92%
CAS号 : 6363-53-7 Compound CID : 23615261

分子式: C₁₂H₂₂O₁₁•H₂O 分子量: 360.31

IUPAC Name: (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal;hydrate

SMILES: C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O.O

InChIKey: HBDJFVFTHLOSDW-DNDLZOGFSA-N

InChI: InChI=1S/C12H22O11.H2O/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;/h1,4-12,14-21H,2-3H2;1H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+;/m0./s1
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2,4-二羟基苯甲酸
- ≥92%
CAS号 : 89-86-1 Compound CID : 1491

分子式: C₇H₆O₄ 分子量: 154.12

IUPAC Name: 2,4-dihydroxybenzoic acid

SMILES: C1=CC(=C(C=C1O)O)C(=O)O

InChIKey: UIAFKZKHHVMJGS-UHFFFAOYSA-N

InChI: InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)
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