按“信号通路”分类 - 小分子和化合物库 | 纯度: ≥99 atom% 13C, ≥92%, ≥85%(HPLC)

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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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吡啉
- ≥85%(HPLC)
CAS号 : 81-54-9 Compound CID : 6683

分子式: C₁₄H₈O₅ 分子量: 256.21

IUPAC Name: 1,2,4-trihydroxyanthracene-9,10-dione

SMILES: C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3O)O)O

InChIKey: BBNQQADTFFCFGB-UHFFFAOYSA-N

InChI: InChI=1S/C14H8O5/c15-8-5-9(16)14(19)11-10(8)12(17)6-3-1-2-4-7(6)13(11)18/h1-5,15-16,19H
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二岩藻糖基-对-乳-N-六糖
- ≥85%(HPLC)
CAS号 : 64309-01-9 Compound CID : 5219625

分子式: C₅₂H₈₈N₂O₃₉ 分子量: 1365.25

IUPAC Name: N-[2-[2-[5-acetamido-6-[3,5-dihydroxy-2-(hydroxymethyl)-6-(1,2,4,5-tetrahydroxy-6-oxohexan-3-yl)oxyoxan-4-yl]oxy-2-(hydroxymethyl)-4-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]oxy-3,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-3-yl]acetamide

SMILES: CC1C(C(C(C(O1)OC2C(OC(C(C2OC3C(C(C(C(O3)CO)O)O)O)NC(=O)C)OC4C(C(OC(C4O)OC5C(OC(C(C5OC6C(C(C(C(O6)C)O)O)O)NC(=O)C)OC7C(C(OC(C7O)OC(C(CO)O)C(C(C=O)O)O)CO)O)CO)CO)O)CO)O)O)O

InChIKey: BCUMESVDMXHZRL-UHFFFAOYSA-N

InChI: InChI=1S/C52H88N2O39/c1-12-25(66)31(72)34(75)48(80-12)88-40-21(10-60)85-47(24(54-15(4)63)43(40)91-50-36(77)33(74)28(69)18(7-57)82-50)93-45-30(71)20(9-59)84-52(38(45)79)89-41-22(11-61)86-46(23(53-14(3)62)42(41)90-49-35(76)32(73)26(67)13(2)81-49)92-44-29(70)19(8-58)83-51(37(44)78)87-39(17(65)6-56)27(68)16(64)5-55/h5,12-13,16-52,56-61,64-79H,6-11H2,1-4H3,(H,53,62)(H,54,63)
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D -葡萄糖-1-¹³C
- ≥99 atom% 13C
CAS号 : 40762-22-9 Compound CID : 12285878

分子式: 13CC₅H₁₂O₆ 分子量: 181.15

IUPAC Name: (3R,4S,5S,6R)-6-(hydroxymethyl)(213C)oxane-2,3,4,5-tetrol

SMILES: C(C1C(C(C(C(O1)O)O)O)O)O

InChIKey: WQZGKKKJIJFFOK-USBRANDWSA-N

InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5-,6?/m1/s1/i6+1
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甘氨酸-2-13C
- ≥99 atom% 13C
CAS号 : 20220-62-6 Compound CID : 11105298

分子式: H₂N13CH₂CO₂H 分子量: 76.06

IUPAC Name: 2-aminoacetic acid

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

InChIKey: DHMQDGOQFOQNFH-OUBTZVSYSA-N

InChI: InChI=1S/C2H5NO2/c3-1-2(4)5/h1,3H2,(H,4,5)/i1+1
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茜素紫
- ≥85%(HPLC)
CAS号 : 2103-64-2 Compound CID : 73685

分子式: C₂₀H₁₂O₇ 分子量: 364.3

IUPAC Name: 3',4',5',6'-tetrahydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one

SMILES: C1=CC=C2C(=C1)C(=O)OC23C4=C(C(=C(C=C4)O)O)OC5=C3C=CC(=C5O)O

InChIKey: PHLYOKFVXIVOJC-UHFFFAOYSA-N

InChI: InChI=1S/C20H12O7/c21-13-7-5-11-17(15(13)23)26-18-12(6-8-14(22)16(18)24)20(11)10-4-2-1-3-9(10)19(25)27-20/h1-8,21-24H
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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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棕榈酸-1-（¹³C）
- ≥99 atom% 13C
CAS号 : 57677-53-9 Compound CID : 9881577

分子式: (13C)C₁₅H₃₂O₂ 分子量: 257.42

IUPAC Name: (113C)hexadecanoic acid

SMILES: CCCCCCCCCCCCCCCC(=O)O

InChIKey: IPCSVZSSVZVIGE-LOYIAQTISA-N

InChI: InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i16+1
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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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苄醇-α-13C
- ≥99 atom% 13C
CAS号 : 54522-91-7 Compound CID : 12203066

分子式: C₆H₅(13C)H₂OH 分子量: 109.13

IUPAC Name: phenyl(113C)methanol

SMILES: C1=CC=C(C=C1)CO

InChIKey: WVDDGKGOMKODPV-PTQBSOBMSA-N

InChI: InChI=1S/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2/i6+1
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