按“信号通路”分类 - 小分子和化合物库 | 纯度: ≥99 atom% 13C,≥96%, ≥94%(HPLC), ≥98 atom% 13C,≥98%

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巴龙霉素硫酸盐
- ≥94%(HPLC)
CAS号 : 1263-89-4

分子式: C₂₃H₄₅N₅O₁₄·xH₂SO₄ 分子量: 615.63 (free base basis)

IUPAC Name: (2S,3S,4R,5R,6R)-5-amino-2-(aminomethyl)-6-[(2R,3S,4R,5S)-5-[(1R,2R,3S,5R,6S)-3,5-diamino-2-[(2S,3R,4R,5S,6R)-3-amino-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-hydroxycyclohexyl]oxy-4-hydroxy-2-(hydroxymethyl)oxolan-3-yl]oxyoxane-3,4-diol;sulfuric acid

SMILES: C1C(C(C(C(C1N)OC2C(C(C(C(O2)CO)O)O)N)OC3C(C(C(O3)CO)OC4C(C(C(C(O4)CN)O)O)N)O)O)N.OS(=O)(=O)O

InChIKey: LJRDOKAZOAKLDU-UDXJMMFXSA-N

InChI: InChI=1S/C23H45N5O14.H2O4S/c24-2-7-13(32)15(34)10(27)21(37-7)41-19-9(4-30)39-23(17(19)36)42-20-12(31)5(25)1-6(26)18(20)40-22-11(28)16(35)14(33)8(3-29)38-22;1-5(2,3)4/h5-23,29-36H,1-4,24-28H2;(H2,1,2,3,4)/t5-,6+,7+,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23+;/m1./s1
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鹅去氧胆酸-¹³C24
- ≥98 atom% 13C,≥98%
CAS号 : 52918-92-0 Compound CID : 102601205

分子式: C₂₃(13C)H₄₀O₄ 分子量: 393.56

IUPAC Name: (4R)-4-[(3R,5S,7R,8R,9S,10S,13R,14S,17R)-3,7-dihydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl](113C)pentanoic acid

SMILES: CC(CCC(=O)O)C1CCC2C1(CCC3C2C(CC4C3(CCC(C4)O)C)O)C

InChIKey: RUDATBOHQWOJDD-NIOAGLPLSA-N

InChI: InChI=1S/C24H40O4/c1-14(4-7-21(27)28)17-5-6-18-22-19(9-11-24(17,18)3)23(2)10-8-16(25)12-15(23)13-20(22)26/h14-20,22,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15+,16-,17-,18+,19+,20-,22+,23+,24-/m1/s1/i21+1
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17α-羟基孕酮-2,3,4-¹³C₃
- ≥98 atom% 13C,≥98%
CAS号 : 1356154-92-1

分子量: 333.44

SMILES: CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=[13CH][13C](=O)[13CH2]C[C@]4(C)[C@H]3CC[C@]12C

InChIKey: DBPWSSGDRRHUNT-GGSYSODVSA-N

InChI: 1S/C21H30O3/c1-13(22)21(24)11-8-18-16-5-4-14-12-15(23)6-9-19(14,2)17(16)7-10-20(18,21)3/h12,16-18,24H,4-11H2,1-3H3/t16-,17+,18+,19+,20+,21+/m1/s1/i6+1,12+1,15+1
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丙酰-L-肉碱
- ≥94%(HPLC)
CAS号 : 20064-19-1 Compound CID : 188824

分子式: C₁₀H₁₉NO₄ 分子量: 217.26

IUPAC Name: (3R)-3-propanoyloxy-4-(trimethylazaniumyl)butanoate

SMILES: CCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C

InChIKey: UFAHZIUFPNSHSL-MRVPVSSYSA-N

InChI: InChI=1S/C10H19NO4/c1-5-10(14)15-8(6-9(12)13)7-11(2,3)4/h8H,5-7H2,1-4H3/t8-/m1/s1
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异戊酰-L-肉碱
- ≥94%(HPLC)
CAS号 : 31023-24-2 Compound CID : 6426851

分子式: C₁₂H₂₃NO₄ 分子量: 245.32

IUPAC Name: 3-(3-methylbutanoyloxy)-4-(trimethylazaniumyl)butanoate

SMILES: CC(C)CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C

InChIKey: IGQBPDJNUXPEMT-UHFFFAOYSA-N

InChI: InChI=1S/C12H23NO4/c1-9(2)6-12(16)17-10(7-11(14)15)8-13(3,4)5/h9-10H,6-8H2,1-5H3
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普罗布考-丙酰基-¹³C3
- ≥99 atom% 13C,≥96%
CAS号 : 1173019-29-8

分子式: ¹³C₃C₂₈H₄₈O₂S₂ 分子量: 519.82

SMILES: CC(C)(C)c1cc(S[13C]([13CH3])([13CH3])Sc2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)cc(c1O)C(C)(C)C

InChIKey: FYPMFJGVHOHGLL-DGVNISHSSA-N

InChI: 1S/C31H48O2S2/c1-27(2,3)21-15-19(16-22(25(21)32)28(4,5)6)34-31(13,14)35-20-17-23(29(7,8)9)26(33)24(18-20)30(10,11)12/h15-18,32-33H,1-14H3/i13+1,14+1,31+1
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月桂酰-L-肉碱
- ≥94%(HPLC)
CAS号 : 25518-54-1 Compound CID : 168381

分子式: C₁₉H₃₇NO₄ 分子量: 343.5

IUPAC Name: (3R)-3-dodecanoyloxy-4-(trimethylazaniumyl)butanoate

SMILES: CCCCCCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C

InChIKey: FUJLYHJROOYKRA-QGZVFWFLSA-N

InChI: InChI=1S/C19H37NO4/c1-5-6-7-8-9-10-11-12-13-14-19(23)24-17(15-18(21)22)16-20(2,3)4/h17H,5-16H2,1-4H3/t17-/m1/s1
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棕榈酸-¹³C₁₆
- ≥98 atom% 13C,≥98%
CAS号 : 56599-85-0

分子式: (13C)₁₆H₃₂O₂ 分子量: 272.31

IUPAC Name: (1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16-13C16)hexadecanoic acid

SMILES: CCCCCCCCCCCCCCCC(=O)O

InChIKey: IPCSVZSSVZVIGE-BZDICNBSSA-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)/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1
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