小分子和化合物库

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显示第145156个,产品总数237

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  1. 氯化天竺葵色素苷
      规格或纯度 :
    • ≥90%
    CAS号: 17334-58-6        EC号: 241-360-0        Compound CID : 167642
    分子式: C27H31ClO15        分子量: 630.98
    IUPAC Name: (2S,3R,4S,5S,6R)-2-[7-hydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-5-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride
    SMILES: C1=CC(=CC=C1C2=C(C=C3C(=CC(=CC3=[O+]2)O)OC4C(C(C(C(O4)CO)O)O)O)OC5C(C(C(C(O5)CO)O)O)O)O.[Cl-]
    InChIKey: DIRROHKULXIUCB-DHJOXOLYSA-N
    InChI: 1S/C27H30O15.ClH/c28-8-17-19(32)21(34)23(36)26(41-17)39-15-6-12(31)5-14-13(15)7-16(25(38-14)10-1-3-11(30)4-2-10)40-27-24(37)22(35)20(33)18(9-29)42-27;/h1-7,17-24,26-29,32-37H,8-9H2,(H-,30,31);1H/t17-,See more
  2. 寡霉素
      规格或纯度 :
    • ≥90%
    CAS号: 1404-19-9        EC号: MFCD01779388
    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.See more
    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: 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/h13-15,17-18,21,25See more
  3. 6-硫代磷酸
      规格或纯度 :
    • ≥90%
    CAS号: 53-83-8        Compound CID : 3034391
    分子式: C10H13N4O7PS        分子量: 364.27
    IUPAC Name: [(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-sulfanylidene-3H-purin-9-yl)oxolan-2-yl]methyl dihydrogen phosphate
    SMILES: C1=NC(=S)C2=C(N1)N(C=N2)C3C(C(C(O3)COP(=O)(O)O)O)O
    InChIKey: ZKRFOXLVOKTUTA-KQYNXXCUSA-N
    InChI: 1S/C10H13N4O7PS/c15-6-4(1-20-22(17,18)19)21-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)23/h2-4,6-7,10,15-16H,1H2,(H,11,12,23)(H2,17,18,19)/t4-,6-,7-,10-/m1/s1
  4. AH23848半钙盐
    CAS号: 81496-19-7
    分子式: C29H34NO5 · 0.5 Ca        分子量: 496.62
    IUPAC Name: (Z)-7-[(1R,2R,5S)-2-morpholin-4-yl-3-oxo-5-[(4-phenylphenyl)methoxy]cyclopentyl]hept-4-enoic acid
    SMILES: C1COCCN1C2C(C(CC2=O)OCC3=CC=C(C=C3)C4=CC=CC=C4)CCC=CCCC(=O)O
    InChIKey: IOFUFYLETVNNRF-OSAZKUMMSA-N
    InChI: 1S/C29H35NO5/c31-26-20-27(35-21-22-12-14-24(15-13-22)23-8-4-3-5-9-23)25(10-6-1-2-7-11-28(32)33)29(26)30-16-18-34-19-17-30/h1-5,8-9,12-15,25,27,29H,6-7,10-11,16-21H2,(H,32,33)/b2-1-/t25-,27-,29+/m0/s1
  5. Calpain Inhibitor XII
      规格或纯度 :
    • ≥90%
    CAS号: 181769-57-3
    分子式: C26H34N4O5        分子量: 482.57
    IUPAC Name: benzyl N-[1-[[1,2-dioxo-1-(pyridin-2-ylmethylamino)hexan-3-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamate
    SMILES: CCCC(C(=O)C(=O)NCC1=CC=CC=N1)NC(=O)C(CC(C)C)NC(=O)OCC2=CC=CC=C2
    InChIKey: PLVWMBFPIAQRHK-UHFFFAOYSA-N
    InChI: 1S/C26H34N4O5/c1-4-10-21(23(31)25(33)28-16-20-13-8-9-14-27-20)29-24(32)22(15-18(2)3)30-26(34)35-17-19-11-6-5-7-12-19/h5-9,11-14,18,21-22H,4,10,15-17H2,1-3H3,(H,28,33)(H,29,32)(H,30,34)
  6. β-甲基巴豆酰基辅酶A锂盐
      规格或纯度 :
    • ≥90%
    CAS号: 108347-83-7        Compound CID : 16219611
    分子式: C26H42N7O17P3S•xLi        分子量: 849.63
    SMILES: [Li].CC(=CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O)C
    InChIKey: XFSTZOBMDWRSLY-UHFFFAOYSA-N
    InChI: 1S/C26H42N7O17P3S.Li/c1-14(2)9-17(35)54-8-7-28-16(34)5-6-29-24(38)21(37)26(3,4)11-47-53(44,45)50-52(42,43)46-10-15-20(49-51(39,40)41)19(36)25(48-15)33-13-32-18-22(27)30-12-31-23(18)33;/h9,12-13,15,19-See more
  7. 丙二酰辅酶A四锂盐
      规格或纯度 :
    • ≥90%
    CAS号: 116928-84-8
    分子式: C24H34N7O19P3S・4Li        分子量: 877.31
    IUPAC Name: tetralithium;[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-2-[[[[(3R)-4-[[3-[2-(2-carboxyacetyl)sulfanylethylamino]-3-oxopropyl]amino]-3-hydroxy-2,2-dimethyl-4-oxobutoxy]-oxidophosphoryl]oxy-oxidophosphoryl]oxSee more
    SMILES: [Li+].[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)NCCSC(=O)CC(=O)O)O
    InChIKey: DQLXXYMNINXQSV-QTRRCMKVSA-J
    InChI: 1S/C24H38N7O19P3S.4Li/c1-24(2,19(37)22(38)27-4-3-13(32)26-5-6-54-15(35)7-14(33)34)9-47-53(44,45)50-52(42,43)46-8-12-18(49-51(39,40)41)17(36)23(48-12)31-11-30-16-20(25)28-10-29-21(16)31;;;;/h10-12,17-1See more
  8. 乙酰乙酰辅酶 A 钠盐 水合物
      规格或纯度 :
    • ≥90%
    CAS号: 1420-36-6        Compound CID : 92153
    分子式: C25H40N7O18P3S·xNa+·yH2O        分子量: 851.61(anhydrous free acid basis)
    IUPAC Name: S-[2-[3-[[(2R)-4-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-hydroxy-3-phosphonooxyoxolan-2-yl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]oxy-2-hydroxy-3,3-dimethylbutanoyl]amino]propanoylamino]ethySee more
    SMILES: CC(=O)CC(=O)SCCNC(=O)CCNC(=O)C(C(C)(C)COP(=O)(O)OP(=O)(O)OCC1C(C(C(O1)N2C=NC3=C(N=CN=C32)N)O)OP(=O)(O)O)O
    InChIKey: OJFDKHTZOUZBOS-CITAKDKDSA-N
    InChI: 1S/C25H40N7O18P3S/c1-13(33)8-16(35)54-7-6-27-15(34)4-5-28-23(38)20(37)25(2,3)10-47-53(44,45)50-52(42,43)46-9-14-19(49-51(39,40)41)18(36)24(48-14)32-12-31-17-21(26)29-11-30-22(17)32/h11-12,14,18-20,24,See more
  9. 乳清苷
      规格或纯度 :
    • ≥90%
    CAS号: 314-50-1        Compound CID : 92751
    分子式: C10H12N2O8        分子量: 288.21
    IUPAC Name: 3-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-2,6-dioxopyrimidine-4-carboxylic acid
    SMILES: C1=C(N(C(=O)NC1=O)C2C(C(C(O2)CO)O)O)C(=O)O
    InChIKey: FKCRAVPPBFWEJD-XVFCMESISA-N
    InChI: 1S/C10H12N2O8/c13-2-4-6(15)7(16)8(20-4)12-3(9(17)18)1-5(14)11-10(12)19/h1,4,6-8,13,15-16H,2H2,(H,17,18)(H,11,14,19)/t4-,6-,7-,8-/m1/s1
  10. 兰考韦泰
      规格或纯度 :
    • ≥90%
    CAS号: 1391-36-2        Compound CID : 92043271
    分子式: C89H125N23O25S3        分子量: 2013.28
    IUPAC Name: (1S,4S,13S,16S,19S,22S,25S,28R,31S,37S,40S,44R,47S,50S,53S,56R,65S,70S)-44-amino-47-(4-aminobutyl)-37-(2-amino-2-oxoethyl)-50-(3-amino-3-oxopropyl)-4,16,22-tribenzyl-31-[(S)-carboxy(hydroxy)methyl]-70See more
    SMILES: CC1C2C(=O)NC(C(=O)NC(C(=O)NC3CSCC4C(=O)NC(CS1)C(=O)NC(CNCCCCC(NC(=O)C(CSCC(C(=O)NC(C(=O)NC(C(=O)N4)CCC(=O)N)CCCCN)N)NC(=O)C(NC(=O)CNC(=O)C(NC3=O)C(C(=O)O)O)CC(=O)N)C(=O)O)C(=O)NC(C(=O)NCC(=O)N5CCCC5C(See more
    InChIKey: BPIFGBWRBGTMHX-CREJVHTASA-N
    InChI: 1S/C88H123N23O25S3/c1-44(2)67-85(131)107-60-42-138-41-59-80(126)106-61-43-139-45(3)68(86(132)102-55(76(122)108-67)34-48-22-11-6-12-23-48)109-77(123)54(33-47-20-9-5-10-21-47)101-83(129)62-26-17-31-111(See more
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