小分子和化合物库

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11 项目

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  1. L-[1-13C]葡萄糖
      规格或纯度 :
    • ≥98 atom%,≥98%
    CAS号 : 478519-02-7        Compound CID : 90472761
    分子式: C513CH12O6        分子量: 181.15
    IUPAC Name: (3S,4R,5R,6S)-6-(hydroxymethyl)(213C)oxane-2,3,4,5-tetrol
    SMILES: C(C1C(C(C(C(O1)O)O)O)O)O
    InChIKey: WQZGKKKJIJFFOK-WIZIAPGRSA-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?/m0/s1/i6+1
  2. 乙酰胆碱-d9氯化物
      规格或纯度 :
    • ≥98 atom%,≥98%
    CAS号 : 344298-95-9        Compound CID : 45038081
    分子式: C7H7D9ClNO2        分子量: 190.72
    IUPAC Name: 2-acetyloxyethyl-tris(trideuteriomethyl)azanium;chloride
    SMILES: CC(=O)OCC[N+](C)(C)C.[Cl-]
    InChIKey: JUGOREOARAHOCO-WWMMTMLWSA-M
    InChI: InChI=1S/C7H16NO2.ClH/c1-7(9)10-6-5-8(2,3)4;/h5-6H2,1-4H3;1H/q+1;/p-1/i2D3,3D3,4D3;
  3. 富马酸13C4
      规格或纯度 :
    • ≥98 atom%,≥98%
    CAS号 : 201595-62-2        Compound CID : 71309144
    分子式: 13C4H4O4        分子量: 120.04
    IUPAC Name: (E)-(1,2,3,4-13C4)but-2-enedioic acid
    SMILES: C(=CC(=O)O)C(=O)O
    InChIKey: VZCYOOQTPOCHFL-BHBLSLFXSA-N
    InChI: InChI=1S/C4H4O4/c5-3(6)1-2-4(7)8/h1-2H,(H,5,6)(H,7,8)/b2-1+/i1+1,2+1,3+1,4+1
  4. L-谷氨酸-15N
      规格或纯度 :
    • ≥98 atom%,≥98%
    CAS号 : 21160-87-2        Compound CID : 10942598
    分子式: C5H815NO4        分子量: 148.12
    IUPAC Name: (2S)-2-(15N)azanylpentanedioic acid
    SMILES: C(CC(=O)O)C(C(=O)O)N
    InChIKey: WHUUTDBJXJRKMK-OGWWSMAPSA-N
    InChI: InChI=1S/C5H9NO4/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H,7,8)(H,9,10)/t3-/m0/s1/i6+1
  5. L-亮氨酸-15N
      规格或纯度 :
    • ≥98 atom%,≥98%
    CAS号 : 59935-31-8        Compound CID : 10329327
    分子式: C6H1215NO2        分子量: 132.17
    IUPAC Name: (2S)-2-(15N)azanyl-4-methylpentanoic acid
    SMILES: CC(C)CC(C(=O)O)N
    InChIKey: ROHFNLRQFUQHCH-GEERXGHESA-N
    InChI: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1/i7+1
  6. DL-3-羟基丁酸(含高分子酯化产品)
    CAS号 : 300-85-6        Compound CID : 441
    分子式: C4H8O3        分子量: 104.11
    IUPAC Name: 3-hydroxybutanoic acid
    SMILES: CC(CC(=O)O)O
    InChIKey: WHBMMWSBFZVSSR-UHFFFAOYSA-N
    InChI: InChI=1S/C4H8O3/c1-3(5)2-4(6)7/h3,5H,2H2,1H3,(H,6,7)
  7. 1,7-二甲基黄嘌呤-2,4,5,6-¹³C₄-1,3,9-¹⁵N₃
      规格或纯度 :
    • ≥98 atom%,≥98%
    CAS号 : 1173018-79-5       
    分子式: C313C4H8N¹⁵N3O2        分子量: 187.12
    IUPAC Name: 1,7-dimethyl-3H-purine-2,6-dione
    SMILES: CN1C=NC2=C1C(=O)N(C(=O)N2)C
    InChIKey: QUNWUDVFRNGTCO-UDYOVZSYSA-N
    InChI: InChI=1S/C7H8N4O2/c1-10-3-8-5-4(10)6(12)11(2)7(13)9-5/h3H,1-2H3,(H,9,13)/i4+1,5+1,6+1,7+1,8+1,9+1,11+1
  8. 1-甲基黄嘌呤-2,4,5,6-¹³C₄, 1,3,9-¹⁵N₃
      规格或纯度 :
    • ≥98 atom%,≥98%
    CAS号 : 1173018-69-3       
    分子式: C6H6N4O2        分子量: 173.09
    IUPAC Name: 1-methyl-3,7-dihydropurine-2,6-dione
    SMILES: CN1C(=O)C2=C(NC1=O)N=CN2
    InChIKey: MVOYJPOZRLFTCP-UDDVCBLJSA-N
    InChI: InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)/i3+1,4+1,5+1,6+1,8+1,9+1,10+1
  9. 2-甲氧基-¹³C,d₃-雌酮
      规格或纯度 :
    • ≥98 atom%,≥98%
    CAS号 : 1217460-84-8        Compound CID : 71310682
    分子式: C19H24O3        分子量: 301.4
    IUPAC Name: (8R,9S,13S,14S)-3-hydroxy-2-(113C)methoxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
    SMILES: CC12CCC3C(C1CCC2=O)CCC4=CC(=C(C=C34)OC)O
    InChIKey: WHEUWNKSCXYKBU-IQEHBMMRSA-N
    InChI: InChI=1S/C19H24O3/c1-19-8-7-12-13(15(19)5-6-18(19)21)4-3-11-9-16(20)17(22-2)10-14(11)12/h9-10,12-13,15,20H,3-8H2,1-2H3/t12-,13+,15-,19-/m0/s1/i2+1
  10. 涕灭威-(N-甲基-¹³C,d₃ 氨基甲酰基- ¹³C) 砜
      规格或纯度 :
    • ≥98 atom%,≥98%
    CAS号 : 1261170-76-6       
    分子量: 227.27
    SMILES: [2H][13C]([2H])([2H])N[13C](=O)O\=C\\C(C)(C)S(C)(=O)=O
    InChIKey: YRRKLBAKDXSTNC-FONWFMSDSA-N
    InChI: 1S/C7H14N2O4S/c1-7(2,14(4,11)12)5-9-13-6(10)8-3/h5H,1-4H3,(H,8,10)/b9-5+/i3+1D3,6+1
  11. 脱氧胆酸-d4
      规格或纯度 :
    • ≥98 atom%,≥98%
    CAS号 : 112076-61-6       
    分子式: C24H36D4O4        分子量: 396.6
    IUPAC Name: (4R)-4-[(3R,5R,8R,9S,10S,12S,13R,14S,17R)-2,2,4,4-tetradeuterio-3,12-dihydroxy-10,13-dimethyl-3,5,6,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]pentanoic acid
    SMILES: CC(CCC(=O)O)C1CCC2C1(C(CC3C2CCC4C3(CCC(C4)O)C)O)C
    InChIKey: KXGVEGMKQFWNSR-FCSCGBJGSA-N
    InChI: InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1/i10D2,12D2
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