按“信号通路”分类 - 小分子和化合物库 | 纯度: ≥98 atom% D,≥96%, ≥99 atom% 13C, ≥97%,≥98 atom% D

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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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孕酮-d9
- ≥98 atom% D,≥96%
CAS号 : 15775-74-3 Compound CID : 71309321

分子式: C₂₁H₂₁D₉O₂ 分子量: 323.52

IUPAC Name: (8S,9S,10R,13S,14S,17S)-2,2,4,6,6,17-hexadeuterio-10,13-dimethyl-17-(2,2,2-trideuterioacetyl)-7,8,9,11,12,14,15,16-octahydro-1H-cyclopenta[a]phenanthren-3-one

SMILES: CC(=O)C1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C

InChIKey: RJKFOVLPORLFTN-PQIPVKAESA-N

InChI: InChI=1S/C21H30O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h12,16-19H,4-11H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1/i1D3,4D2,8D2,12D,17D
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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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罗苏伐他汀-d3钠盐
- ≥97%,≥98 atom% D
CAS号 : 1279031-70-7 Compound CID : 45359102

分子式: C₂₂H₂₄D₃FN₃O₆S・Na 分子量: 506.54

IUPAC Name: sodium;(E,3R,5S)-7-[4-(4-fluorophenyl)-2-[methylsulfonyl(trideuteriomethyl)amino]-6-propan-2-ylpyrimidin-5-yl]-3,5-dihydroxyhept-6-enoate

SMILES: CC(C)C1=NC(=NC(=C1C=CC(CC(CC(=O)[O-])O)O)C2=CC=C(C=C2)F)N(C)S(=O)(=O)C.[Na+]

InChIKey: RGEBGDYYHAFODH-SYRJKFITSA-M

InChI: InChI=1S/C22H28FN3O6S.Na/c1-13(2)20-18(10-9-16(27)11-17(28)12-19(29)30)21(14-5-7-15(23)8-6-14)25-22(24-20)26(3)33(4,31)32;/h5-10,13,16-17,27-28H,11-12H2,1-4H3,(H,29,30);/q;+1/p-1/b10-9+;/t16-,17-;/m1./s1/i3D3;
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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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1-十二烷醇-1-¹³C
- ≥99 atom% 13C
CAS号 : 88170-32-5

分子式: CH₃(CH₂)₁₀13CH₂OH 分子量: 187.33

IUPAC Name: (113C)dodecan-1-ol

SMILES: CCCCCCCCCCCCO

InChIKey: LQZZUXJYWNFBMV-HNHCFKFXSA-N

InChI: InChI=1S/C12H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h13H,2-12H2,1H3/i12+1
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2-酮基-3-甲基丁酸-¹³C₅钠盐
- ≥99 atom% 13C
CAS号 : 1173018-24-0 Compound CID : 45052185

分子式: 13CH₃13CH(13CH₃)13CO13CO₂Na 分子量: 143.06

IUPAC Name: sodium;3-(113C)methyl-2-oxo(1,2,3,4-13C4)butanoate

SMILES: CC(C)C(=O)C(=O)[O-].[Na+]

InChIKey: WIQBZDCJCRFGKA-JFGXUQBHSA-M

InChI: InChI=1S/C5H8O3.Na/c1-3(2)4(6)5(7)8;/h3H,1-2H3,(H,7,8);/q;+1/p-1/i1+1,2+1,3+1,4+1,5+1;
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4-羟基苯甲醛-α-¹³C
- ≥99 atom% 13C
CAS号 : 152404-52-9 Compound CID : 16213280

分子式: HOC₆H₄13CHO 分子量: 123.11

IUPAC Name: 4-hydroxybenzaldehyde

SMILES: C1=CC(=CC=C1C=O)O

InChIKey: RGHHSNMVTDWUBI-HOSYLAQJSA-N

InChI: InChI=1S/C7H6O2/c8-5-6-1-3-7(9)4-2-6/h1-5,9H/i5+1
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Boc-Leu-OH-1-¹³C一水合物
- ≥99 atom% 13C
CAS号 : 201740-80-9 Compound CID : 16213315

分子式: (CH₃)₂CHCH₂CH(NH-Boc)13CO₂H·H₂O 分子量: 250.3

IUPAC Name: (2S)-4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino](113C)pentanoic acid;hydrate

SMILES: CC(C)CC(C(=O)O)NC(=O)OC(C)(C)C.O

InChIKey: URQQEIOTRWJXBA-GQSAWZRISA-N

InChI: InChI=1S/C11H21NO4.H2O/c1-7(2)6-8(9(13)14)12-10(15)16-11(3,4)5;/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14);1H2/t8-;/m0./s1/i9+1;
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D-Glucos胺-1-¹³C盐酸盐
- ≥99 atom% 13C
CAS号 : 143553-09-7 Compound CID : 71311197

分子式: C₆H₁₄ClNO₅ 分子量: 216.62

IUPAC Name: (3R,4R,5S,6R)-3-amino-6-(hydroxymethyl)(213C)oxane-2,4,5-triol;hydrochloride

SMILES: C(C1C(C(C(C(O1)O)N)O)O)O.Cl

InChIKey: QKPLRMLTKYXDST-GVSDTCGFSA-N

InChI: InChI=1S/C6H13NO5.ClH/c7-3-5(10)4(9)2(1-8)12-6(3)11;/h2-6,8-11H,1,7H2;1H/t2-,3-,4-,5-,6?;/m1./s1/i6+1;
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D-乳糖-1-¹³C 一水合物
- ≥99 atom% 13C
CAS号 : 287100-62-3 Compound CID : 90471260

分子式: C₁₁13CH₂₄O₁₂ 分子量: 361.3

IUPAC Name: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-[(2R,3S,4R,5R)-4,5,6-trihydroxy-2-(hydroxymethyl)(613C)oxan-3-yl]oxyoxane-3,4,5-triol;hydrate

SMILES: C(C1C(C(C(C(O1)OC2C(OC(C(C2O)O)O)CO)O)O)O)O.O

InChIKey: WSVLPVUVIUVCRA-FKZVOWNZSA-N

InChI: InChI=1S/C12H22O11.H2O/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17;/h3-20H,1-2H2;1H2/t3-,4-,5+,6+,7-,8-,9-,10-,11?,12+;/m1./s1/i11+1;
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