代谢酶/蛋白酶 - 按“信号通路”分类 - 小分子和化合物库

芍药内酯苷

规格或纯度 :

≥95%(LC/MS-ELSD)

CAS号 : 39011-90-0 Compound CID : 24868421

分子式: C₂₃H₂₈O₁₁ 分子量: 480.46

IUPAC Name: [(1R,3R,4R,6S,9S)-4-hydroxy-6-methyl-8-oxo-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-oxatricyclo[4.3.0.03,9]nonan-9-yl]methyl benzoate

SMILES: CC12CC(C3CC1(C3(C(=O)O2)COC(=O)C4=CC=CC=C4)OC5C(C(C(C(O5)CO)O)O)O)O

InChIKey: QQUHMASGPODSIW-ICECTASOSA-N

InChI: InChI=1S/C23H28O11/c1-21-8-13(25)12-7-23(21,33-19-17(28)16(27)15(26)14(9-24)32-19)22(12,20(30)34-21)10-31-18(29)11-5-3-2-4-6-11/h2-6,12-17,19,24-28H,7-10H2,1H3/t12-,13+,14+,15+,16-,17+,19-,21-,22-,23-/m0/s1

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12-甲氧基鼠尾草酸

规格或纯度 :

≥95%(LC/MS-ELSD)

CAS号 : 62201-71-2

分子式: C₂₁H₃₀O₄ 分子量: 346.46

IUPAC Name: (4aR,10aS)-5-hydroxy-6-methoxy-1,1-dimethyl-7-propan-2-yl-2,3,4,9,10,10a-hexahydrophenanthrene-4a-carboxylic acid

SMILES: CC(C)C1=C(C(=C2C(=C1)CCC3C2(CCCC3(C)C)C(=O)O)O)OC

InChIKey: QQNSARJGBPMQDI-YCRPNKLZSA-N

InChI: InChI=1S/C21H30O4/c1-12(2)14-11-13-7-8-15-20(3,4)9-6-10-21(15,19(23)24)16(13)17(22)18(14)25-5/h11-12,15,22H,6-10H2,1-5H3,(H,23,24)/t15-,21+/m0/s1

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23-羟基tormentic酸

规格或纯度 :

≥95%(LC/MS-ELSD)

CAS号 : 70868-78-9 Compound CID : 490367

分子式: C₃₀H₄₈O₆ 分子量: 504.7

IUPAC Name: (1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10R,11R,12aR,14bS)-1,10,11-trihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid

SMILES: CC1CCC2(CCC3(C(=CCC4C3(CCC5C4(CC(C(C5(C)CO)O)O)C)C)C2C1(C)O)C)C(=O)O

InChIKey: YCOKATFNRPZIIU-NIZSJLHKSA-N

InChI: InChI=1S/C30H48O6/c1-17-9-12-30(24(34)35)14-13-27(4)18(22(30)29(17,6)36)7-8-21-25(2)15-19(32)23(33)26(3,16-31)20(25)10-11-28(21,27)5/h7,17,19-23,31-33,36H,8-16H2,1-6H3,(H,34,35)/t17-,19-,20-,21-,22-,23+,25+,26+,27-,28-,29-,30+/m1/s1

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DL-丙氨酸-¹⁵N

规格或纯度 :

≥98 atom% 15N

CAS号 : 71261-64-8 Compound CID : 51283

分子式: CH₃CH(15NH₂)CO₂H 分子量: 90.09

IUPAC Name: 2-(15N)azanylpropanoic acid

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

InChIKey: QNAYBMKLOCPYGJ-AZXPZELESA-N

InChI: InChI=1S/C3H7NO2/c1-2(4)3(5)6/h2H,4H2,1H3,(H,5,6)/i4+1

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L-苯丙氨酸-¹⁵N

规格或纯度 :

≥98 atom% 15N

CAS号 : 29700-34-3 Compound CID : 10103511

分子式: C₉H₁₁15NO₂ 分子量: 166.18

IUPAC Name: (2S)-2-(15N)azanyl-3-phenylpropanoic acid

SMILES: C1=CC=C(C=C1)CC(C(=O)O)N

InChIKey: COLNVLDHVKWLRT-YTRLMEAHSA-N

InChI: InChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i10+1

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L-谷氨酰胺-(胺-¹⁵N)

规格或纯度 :

≥98 atom% 15N

CAS号 : 80143-57-3 Compound CID : 11789351

分子式: H₂NCO(CH₂)₂CH(₁₅NH₂)CO₂H 分子量: 147.14

IUPAC Name: (2S)-5-amino-2-(15N)azanyl-5-oxopentanoic acid

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

InChIKey: ZDXPYRJPNDTMRX-OGWWSMAPSA-N

InChI: InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i6+1

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L-谷氨酰胺-(酰胺-¹⁵N)

规格或纯度 :

≥98 atom% 15N

CAS号 : 59681-32-2 Compound CID : 15560190

分子式: C5H10N2O3

IUPAC Name: (2S)-2-amino-5-(15N)azanyl-5-oxopentanoic acid

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

InChIKey: ZDXPYRJPNDTMRX-QQKKVIQDSA-N

InChI: InChI=1S/C5H10N2O3/c6-3(5(9)10)1-2-4(7)8/h3H,1-2,6H2,(H2,7,8)(H,9,10)/t3-/m0/s1/i7+1

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卡帕色烯

规格或纯度 :

≥95%(LC/MS-ELSD)

CAS号 : 57498-96-1 Compound CID : 10449654

分子式: C₂₀H₁₆O₅ 分子量: 336.34

IUPAC Name: 5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethylpyrano[3,2-g]chromen-6-one

SMILES: CC1(C=CC2=C(O1)C=C3C(=C2O)C(=O)C=C(O3)C4=CC=C(C=C4)O)C

InChIKey: YXOATFKTEDZPFL-UHFFFAOYSA-N

InChI: InChI=1S/C20H16O5/c1-20(2)8-7-13-16(25-20)10-17-18(19(13)23)14(22)9-15(24-17)11-3-5-12(21)6-4-11/h3-10,21,23H,1-2H3

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吡啶-¹⁵N

规格或纯度 :

≥98 atom% 15N

CAS号 : 34322-45-7 Compound CID : 12196969

分子式: C₅H₅(₁₅N) 分子量: 80.09

IUPAC Name: (115N)pyridine

SMILES: C1=CC=NC=C1

InChIKey: JUJWROOIHBZHMG-PTQBSOBMSA-N

InChI: InChI=1S/C5H5N/c1-2-4-6-5-3-1/h1-5H/i6+1

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异普鲁丁

规格或纯度 :

≥95%(LC/MS-ELSD)

CAS号 : 4569-98-6 Compound CID : 5748551

分子式: C₁₆H₁₂O₅ 分子量: 284.26

IUPAC Name: 7-hydroxy-3-(4-hydroxyphenyl)-5-methoxychromen-4-one

SMILES: COC1=CC(=CC2=C1C(=O)C(=CO2)C3=CC=C(C=C3)O)O

InChIKey: YSINCDVRUMTOPK-UHFFFAOYSA-N

InChI: InChI=1S/C16H12O5/c1-20-13-6-11(18)7-14-15(13)16(19)12(8-21-14)9-2-4-10(17)5-3-9/h2-8,17-18H,1H3

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穆匹酰胺

规格或纯度 :

≥95%(LC/MS-ELSD)

CAS号 : 66648-43-9 Compound CID : 5280537

分子式: C₁₈H₁₉NO₄ 分子量: 313.35

IUPAC Name: (E)-3-(4-hydroxy-3-methoxyphenyl)-N-[2-(4-hydroxyphenyl)ethyl]prop-2-enamide

SMILES: COC1=C(C=CC(=C1)C=CC(=O)NCCC2=CC=C(C=C2)O)O

InChIKey: NPNNKDMSXVRADT-WEVVVXLNSA-N

InChI: InChI=1S/C18H19NO4/c1-23-17-12-14(4-8-16(17)21)5-9-18(22)19-11-10-13-2-6-15(20)7-3-13/h2-9,12,20-21H,10-11H2,1H3,(H,19,22)/b9-5+

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苯甲酰胺-¹⁵N

规格或纯度 :

≥98 atom% 15N

CAS号 : 31656-62-9 Compound CID : 12196680

分子式: C₇H₇¹⁵NO 分子量: 122.13

IUPAC Name: (15N)benzamide

SMILES: C1=CC=C(C=C1)C(=O)N

InChIKey: KXDAEFPNCMNJSK-VJJZLTLGSA-N

InChI: InChI=1S/C7H7NO/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H2,8,9)/i8+1

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