代谢酶/蛋白酶 - 按“信号通路”分类 - 小分子和化合物库

寡霉素

规格或纯度 :

≥92%

CAS号 : 1404-19-9 Compound CID : 5281899

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[23.3.1]nonacosa-4,18,20-triene-27,2'-oxane]-3,9,13-trione

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: 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/h13-15,17-18,21,25-36,38,40-42,46,48,50-51,53H,12,16,19-20,22-24H2,1-11H3/b14-13+,17-15+,21-18+/t25-,26-,27+,28+,29+,30-,31-,32-,33-,34-,35-,36-,38+,40+,41+,42-,44+,45-/m1/s1

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普伐他汀内酯

规格或纯度 :

≥92%

CAS号 : 85956-22-5 Compound CID : 9931182

分子式: C₂₃H₃₄O₆ 分子量: 406.51

IUPAC Name: [(1S,3S,7S,8S,8aR)-3-hydroxy-8-[2-[(2R,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl] (2S)-2-methylbutanoate

SMILES: CCC(C)C(=O)OC1CC(C=C2C1C(C(C=C2)C)CCC3CC(CC(=O)O3)O)O

InChIKey: OQARDMYXSOFTLN-PZAWKZKUSA-N

InChI: InChI=1S/C23H34O6/c1-4-13(2)23(27)29-20-11-16(24)9-15-6-5-14(3)19(22(15)20)8-7-18-10-17(25)12-21(26)28-18/h5-6,9,13-14,16-20,22,24-25H,4,7-8,10-12H2,1-3H3/t13-,14-,16+,17+,18+,19-,20-,22-/m0/s1

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磷酸肌酸

规格或纯度 :

≥92%

CAS号 : 67-07-2

分子式: C₄H₁₀N₃O₅P 分子量: 211.11

IUPAC Name: 2-[methyl-[(E)-N'-phosphonocarbamimidoyl]amino]acetic acid

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

InChIKey: DRBBFCLWYRJSJZ-UHFFFAOYSA-N

InChI: InChI=1S/C4H10N3O5P/c1-7(2-3(8)9)4(5)6-13(10,11)12/h2H2,1H3,(H,8,9)(H4,5,6,10,11,12)

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18-羟基皮质酮-9,11,12,12-d₄

规格或纯度 :

≥98 atom% D,≥95%

CAS号 : 1257742-38-3

分子量: 366.48

SMILES: [2H]C1([2H])[C@]([2H])(O)[C@@]2([2H])[C@@H](CCC3=CC(=O)CC[C@]23C)[C@@H]4CC[C@H](C(=O)CO)[C@@]14CO

InChIKey: HFSXHZZDNDGLQN-NREATFFYSA-N

InChI: 1S/C21H30O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,14-17,19,22-23,25H,2-7,9-11H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1/i9D2,17D,19D

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L-多巴-(苯基-d₃)

规格或纯度 :

≥98 atom% D,≥95%

CAS号 : 53587-29-4

分子式: C₉H₈D₃NO₄ 分子量: 200.21

IUPAC Name: (2S)-2-amino-3-(2,3,6-trideuterio-4,5-dihydroxyphenyl)propanoic acid

SMILES: C1=CC(=C(C=C1CC(C(=O)O)N)O)O

InChIKey: WTDRDQBEARUVNC-UOCCHMHCSA-N

InChI: InChI=1S/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/i1D,2D,4D

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催产素-(亮氨酸-5,5,5-d₃, 甘氨酸-2,2-d₂ ) 三氟乙酸盐

规格或纯度 :

≥98 atom% D,≥95%

CAS号 : 50-56-6 Compound CID : 439302

分子式: C₄₃H₆₆N₁₂O₁₂S₂ 分子量: 1007.19

IUPAC Name: (2S)-1-[(4R,7S,10S,13S,16S,19R)-19-amino-7-(2-amino-2-oxoethyl)-10-(3-amino-3-oxopropyl)-13-[(2S)-butan-2-yl]-16-[(4-hydroxyphenyl)methyl]-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentazacycloicosane-4-carbonyl]-N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]pyrrolidine-2-carboxamide

SMILES: CCC(C)C1C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)N)C(=O)N3CCCC3C(=O)NC(CC(C)C)C(=O)NCC(=O)N)CC(=O)N)CCC(=O)N

InChIKey: XNOPRXBHLZRZKH-DSZYJQQASA-N

InChI: InChI=1S/C43H66N12O12S2/c1-5-22(4)35-42(66)49-26(12-13-32(45)57)38(62)51-29(17-33(46)58)39(63)53-30(20-69-68-19-25(44)36(60)50-28(40(64)54-35)16-23-8-10-24(56)11-9-23)43(67)55-14-6-7-31(55)41(65)52-27(15-21(2)3)37(61)48-18-34(47)59/h8-11,21-22,25-31,35,56H,5-7,12-20,44H2,1-4H3,(H2,45,57)(H2,46,58)(H2,47,59)(H,48,61)(H,49,66)(H,50,60)(H,51,62)(H,52,65)(H,53,63)(H,54,64)/t22-,25-,26-,27-,28-,29-,30-,31-,35-/m0/s1

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生物素-2',2',3',3'-d₄

规格或纯度 :

≥98 atom% D,≥95%

CAS号 : 1217850-77-5 Compound CID : 6419877

分子式: C₁₀H₁₂D₄N₂O₃S 分子量: 248.34

IUPAC Name: 5-[(4S)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoic acid

SMILES: C1C2C(C(S1)CCCCC(=O)O)NC(=O)N2

InChIKey: YBJHBAHKTGYVGT-CRMOQAEOSA-N

InChI: InChI=1S/C10H16N2O3S/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6?,7-,9?/m0/s1

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4,4-二甲氧基-2-丁酮

规格或纯度 :

≥92%

CAS号 : 5436-21-5 Compound CID : 228548

分子式: C₆H₁₂O₃ 分子量: 132.16

IUPAC Name: 4,4-dimethoxybutan-2-one

SMILES: CC(=O)CC(OC)OC

InChIKey: PJCCSZUMZMCWSX-UHFFFAOYSA-N

InChI: InChI=1S/C6H12O3/c1-5(7)4-6(8-2)9-3/h6H,4H2,1-3H3

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D-(+)-麦芽糖一水合物

规格或纯度 :

≥92%

CAS号 : 6363-53-7 Compound CID : 23615261

分子式: C₁₂H₂₂O₁₁•H₂O 分子量: 360.31

IUPAC Name: (2R,3R,4R,5R)-2,3,5,6-tetrahydroxy-4-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyhexanal;hydrate

SMILES: C(C1C(C(C(C(O1)OC(C(CO)O)C(C(C=O)O)O)O)O)O)O.O

InChIKey: HBDJFVFTHLOSDW-DNDLZOGFSA-N

InChI: InChI=1S/C12H22O11.H2O/c13-1-4(16)7(18)11(5(17)2-14)23-12-10(21)9(20)8(19)6(3-15)22-12;/h1,4-12,14-21H,2-3H2;1H2/t4-,5+,6+,7+,8+,9-,10+,11+,12+;/m0./s1

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2,4-二羟基苯甲酸

规格或纯度 :

≥92%

CAS号 : 89-86-1 Compound CID : 1491

分子式: C₇H₆O₄ 分子量: 154.12

IUPAC Name: 2,4-dihydroxybenzoic acid

SMILES: C1=CC(=C(C=C1O)O)C(=O)O

InChIKey: UIAFKZKHHVMJGS-UHFFFAOYSA-N

InChI: InChI=1S/C7H6O4/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,8-9H,(H,10,11)

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十二醛

规格或纯度 :

≥92%

CAS号 : 112-54-9 Compound CID : 8194

分子式: C₁₂H₂₄O 分子量: 184.32

IUPAC Name: dodecanal

SMILES: CCCCCCCCCCCC=O

InChIKey: HFJRKMMYBMWEAD-UHFFFAOYSA-N

InChI: InChI=1S/C12H24O/c1-2-3-4-5-6-7-8-9-10-11-12-13/h12H,2-11H2,1H3

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雌三醇

规格或纯度 :

Moligand™

≥92%

CAS号 : 50-27-1 Compound CID : 5756

分子式: C₁₈H₂₄O₃ 分子量: 288.38

IUPAC Name: (8R,9S,13S,14S,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol

SMILES: CC12CCC3C(C1CC(C2O)O)CCC4=C3C=CC(=C4)O

InChIKey: PROQIPRRNZUXQM-ZXXIGWHRSA-N

InChI: InChI=1S/C18H24O3/c1-18-7-6-13-12-5-3-11(19)8-10(12)2-4-14(13)15(18)9-16(20)17(18)21/h3,5,8,13-17,19-21H,2,4,6-7,9H2,1H3/t13-,14-,15+,16-,17+,18+/m1/s1

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