按“信号通路”分类

分子式: C₂₀H₃₄O₂        分子量: 306.48

IUPAC Name: ethyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate

SMILES: CCC=CCC=CCC=CCCCCCCCC(=O)OCC

InChIKey: JYYFMIOPGOFNPK-AGRJPVHOSA-N

InChI: InChI=1S/C20H34O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-4-2/h5-6,8-9,11-12H,3-4,7,10,13-19H2,1-2H3/b6-5-,9-8-,12-11-

分子式: C₂₀H₄₀O₂        分子量: 312.53

IUPAC Name: icosanoic acid

SMILES: CCCCCCCCCCCCCCCCCCCC(=O)O

InChIKey: VKOBVWXKNCXXDE-UHFFFAOYSA-N

InChI: InChI=1S/C20H40O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h2-19H2,1H3,(H,21,22)

分子式: C₄₇H₇₃NO₁₇        分子量: 924.08

IUPAC Name: (1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,19E,21E,23E,25E,27E,29E,31E,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid

SMILES: CC1C=CC=CC=CC=CC=CC=CC=CC(CC2C(C(CC(O2)(CC(CC(C(CCC(CC(CC(=O)OC(C(C1O)C)C)O)O)O)O)O)O)O)C(=O)O)OC3C(C(C(C(O3)C)O)N)O

InChIKey: APKFDSVGJQXUKY-INPOYWNPSA-N

InChI: InChI=1S/C47H73NO17/c1-27-17-15-13-11-9-7-5-6-8-10-12-14-16-18-34(64-46-44(58)41(48)43(57)30(4)63-46)24-38-40(45(59)60)37(54)26-47(61,65-38)25-33(51)22-36(53)35(52)20-19-31(49)21-32(50)23-39(55)62-29(3)28(2)42(27)56/h5-18,27-38,40-44,46,49-54,56-58,61H,19-26,48H2,1-4H3,(H,59,60)/b6-5+,9-7+,10-8+,13-11+,14-12+,17-15+,18-16+/t27-,28-,29-,30+,31+,32+,33-,34-,35+,36+,37-,38-,40+,41-,42+,43+,44-,46-,47+/m0/s1

分子式: C₁₅H₂₀O₄        分子量: 264.32

IUPAC Name: (2Z,4E)-5-[(1S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid

SMILES: CC1=CC(=O)CC(C1(C=CC(=CC(=O)O)C)O)(C)C

InChIKey: JLIDBLDQVAYHNE-YKALOCIXSA-N

InChI: InChI=1S/C15H20O4/c1-10(7-13(17)18)5-6-15(19)11(2)8-12(16)9-14(15,3)4/h5-8,19H,9H2,1-4H3,(H,17,18)/b6-5+,10-7-/t15-/m1/s1

分子式: C₁₆H₁₈ClN₃S·3H₂O        分子量: 373.9

IUPAC Name: [7-(dimethylamino)phenothiazin-3-ylidene]-dimethylazanium;chloride;trihydrate

SMILES: CN(C)C1=CC2=C(C=C1)N=C3C=CC(=[N+](C)C)C=C3S2.O.O.O.[Cl-]

InChIKey: XQAXGZLFSSPBMK-UHFFFAOYSA-M

InChI: InChI=1S/C16H18N3S.ClH.3H2O/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;;;;/h5-10H,1-4H3;1H;3*1H2/q+1;;;;/p-1

分子式: C₂₃H₂₅ClO₁₂        分子量: 528.89

IUPAC Name: (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol;chloride

SMILES: COC1=CC(=CC(=C1O)OC)C2=[O+]C3=CC(=CC(=C3C=C2OC4C(C(C(C(O4)CO)O)O)O)O)O.[Cl-]

InChIKey: YDIKCZBMBPOGFT-DIONPBRTSA-N

InChI: InChI=1S/C23H24O12.ClH/c1-31-14-3-9(4-15(32-2)18(14)27)22-16(7-11-12(26)5-10(25)6-13(11)33-22)34-23-21(30)20(29)19(28)17(8-24)35-23;/h3-7,17,19-21,23-24,28-30H,8H2,1-2H3,(H2-,25,26,27);1H/t17-,19-,20+,21-,23-;/m1./s1

分子式: (C₁₆H₃₃N₁₁S₁₆Zn₃)_x        分子量: (1088.6)x

IUPAC Name: zinc;N-[2-(sulfidocarbothioylamino)ethyl]carbamodithioate

SMILES: C(CNC(=S)[S-])NC(=S)[S-].[Zn+2]

InChIKey: AMHNZOICSMBGDH-UHFFFAOYSA-L

InChI: InChI=1S/C4H8N2S4.Zn/c7-3(8)5-1-2-6-4(9)10;/h1-2H2,(H2,5,7,8)(H2,6,9,10);/q;+2/p-2

分子式: C₂₁H₂₀O₁₂        分子量: 464.38

IUPAC Name: 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one

SMILES: C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OC4C(C(C(C(O4)CO)O)O)O)O)O

InChIKey: OVSQVDMCBVZWGM-QSOFNFLRSA-N

InChI: InChI=1S/C21H20O12/c22-6-13-15(27)17(29)18(30)21(32-13)33-20-16(28)14-11(26)4-8(23)5-12(14)31-19(20)7-1-2-9(24)10(25)3-7/h1-5,13,15,17-18,21-27,29-30H,6H2/t13-,15-,17+,18-,21+/m1/s1

分子式: C₃H₆O₃        分子量: 90.08

IUPAC Name: (2S)-2,3-dihydroxypropanal

SMILES: C(C(C=O)O)O

InChIKey: MNQZXJOMYWMBOU-GSVOUGTGSA-N

InChI: InChI=1S/C3H6O3/c4-1-3(6)2-5/h1,3,5-6H,2H2/t3-/m1/s1

分子式: C₂₁H₂₂O₆        分子量: 370.40

IUPAC Name: [(1R)-1-(5,8-dihydroxy-1,4-dioxonaphthalen-2-yl)-4-methylpent-3-enyl] 3-methylbut-2-enoate

SMILES: CC(=CCC(C1=CC(=O)C2=C(C=CC(=C2C1=O)O)O)OC(=O)C=C(C)C)C

InChIKey: BATBOVZTQBLKIL-QGZVFWFLSA-N

InChI: InChI=1S/C21H22O6/c1-11(2)5-8-17(27-18(25)9-12(3)4)13-10-16(24)19-14(22)6-7-15(23)20(19)21(13)26/h5-7,9-10,17,22-23H,8H2,1-4H3/t17-/m1/s1

分子式: C₁₉H₂₂N₂O·HCl·xH₂O        分子量: 330.85

IUPAC Name: (S)-[(2R,4S,5R)-5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol;hydrochloride

SMILES: C=CC1CN2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O.Cl

InChIKey: IMUHWLVEEVGMBC-BKUXTCEESA-N

InChI: InChI=1S/C19H22N2O.ClH/c1-2-13-12-21-10-8-14(13)11-18(21)19(22)16-7-9-20-17-6-4-3-5-15(16)17;/h2-7,9,13-14,18-19,22H,1,8,10-12H2;1H/t13-,14-,18+,19-;/m0./s1

分子式: C₂₀₆H₃₄₀N₆₀O₆₃S        分子量: 4697.33

IUPAC Name: (4S)-5-[[(2S)-1-[[(2S)-1-[[(2S)-1-[[1-[[(2S,3R)-1-[[(2S)-6-amino-1-[[(2R)-1-[[(2R)-1-[[(2R)-5-amino-1-[[(2R)-1-[[(2R)-1-[[(2R)-5-amino-1-[[(2R)-5-amino-1-[[(2R)-1-[[(2R)-1-[[(2R)-4-amino-1-[[(2R)-4-amino-1-[[(2R)-1-[[(2R)-6-amino-1-[[(2R)-1-[[(2R)-1-[[(2R)-1-[[(2S,3R)-1-[[(2R)-1-amino-1-oxopropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-5-carbamimidamido-1-oxopentan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-1,4-dioxobutan-2-yl]amino]-3-(1H-imidazol-4-yl)-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-carboxy-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-4-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2R)-1-[(2R)-1-[(2S)-2-[[(2S)-5-amino-2-[[(2S)-2-amino-3-hydroxypropanoyl]amino]-5-oxopentanoyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carbonyl]amino]-3-methylpentanoyl]amino]-3-hydroxypropanoyl]amino]-4-methylpentanoyl]amino]-3-carboxypropanoyl]amino]-4-methylpentanoyl]amino]-3-hydroxybutanoyl]amino]-3-phenylpropanoyl]amino]-3-(1H-imidazol-4-yl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-5-oxopentanoic acid

SMILES: CCC(C)C(C(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CC2=CNC=N2)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(CCSC)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)N)C(=O)NC(C)C(=O)NC(CC3=CNC=N3)C(=O)NC(CC(=O)N)C(=O)NC(CC(=O)N)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CC(=O)O)C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)N)NC(=O)C4CCCN4C(=O)C5CCCN5C(=O)C(CCC(=O)O)NC(=O)C(CCC(=O)N)NC(=O)C(CO)N

InChIKey: BMUPKVLWWGQTIL-SFYWBPHXSA-N

InChI: InChI=1S/C206H340N60O63S/c1-30-104(21)160(199(324)227-106(23)164(216)289)261-195(320)143(88-158(287)288)256-185(310)132(77-99(11)12)248-183(308)130(75-97(7)8)246-173(298)117(46-36-38-67-208)233-171(296)118(47-39-68-223-205(217)218)235-190(315)139(84-151(214)275)254-191(316)140(85-152(215)276)253-188(313)137(82-113-89-221-93-225-113)243-166(291)108(25)229-170(295)120(51-58-147(210)271)236-174(299)121(52-59-148(211)272)231-165(290)107(24)230-180(305)128(73-95(3)4)245-177(302)123(54-61-150(213)274)238-192(317)141(86-156(283)284)244-167(292)109(26)228-169(294)116(45-35-37-66-207)241-201(326)162(110(27)269)263-179(304)126(65-72-330-29)240-175(300)124(55-62-153(277)278)239-182(307)134(79-101(15)16)257-198(323)159(103(19)20)260-178(303)125(56-63-154(279)280)237-172(297)119(48-40-69-224-206(219)220)234-181(306)129(74-96(5)6)247-184(309)131(76-98(9)10)249-189(314)138(83-114-90-222-94-226-114)252-187(312)136(81-112-43-33-32-34-44-112)258-202(327)163(111(28)270)264-194(319)135(80-102(17)18)250-193(318)142(87-157(285)286)255-186(311)133(78-100(13)14)251-196(321)144(92-268)259-200(325)161(105(22)31-2)262-197(322)145-49-41-70-265(145)204(329)146-50-42-71-266(146)203(328)127(57-64-155(281)282)242-176(301)122(53-60-149(212)273)232-168(293)115(209)91-267/h32-34,43-44,89-90,93-111,115-146,159-163,267-270H,30-31,35-42,45-88,91-92,207-209H2,1-29H3,(H2,210,271)(H2,211,272)(H2,212,273)(H2,213,274)(H2,214,275)(H2,215,276)(H2,216,289)(H,221,225)(H,222,226)(H,227,324)(H,228,294)(H,229,295)(H,230,305)(H,231,290)(H,232,293)(H,233,296)(H,234,306)(H,235,315)(H,236,299)(H,237,297)(H,238,317)(H,239,307)(H,240,300)(H,241,326)(H,242,301)(H,243,291)(H,244,292)(H,245,302)(H,246,298)(H,247,309)(H,248,308)(H,249,314)(H,250,318)(H,251,321)(H,252,312)(H,253,313)(H,254,316)(H,255,311)(H,256,310)(H,257,323)(H,258,327)(H,259,325)(H,260,303)(H,261,320)(H,262,322)(H,263,304)(H,264,319)(H,277,278)(H,279,280)(H,281,282)(H,283,284)(H,285,286)(H,287,288)(H4,217,218,223)(H4,219,220,224)/t104-,105+,106-,107-,108-,109-,110-,111+,115+,116+,117-,118-,119+,120-,121-,122+,123-,124+,125+,126?,127+,128-,129+,130-,131+,132-,133+,134+,135+,136+,137-,138+,139-,140-,141-,142+,143-,144+,145-,146-,159+,160+,161+,162+,163+/m1/s1