按“信号通路”分类

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: 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: 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

分子式: C₂₁H₂₁ClN₂O₈·HCl        分子量: 501.31

IUPAC Name: (4S,4aS,5aS,6S,12aR)-7-chloro-4-(dimethylamino)-1,6,10,11,12a-pentahydroxy-3,12-dioxo-4a,5,5a,6-tetrahydro-4H-tetracene-2-carboxamide;hydrochloride

SMILES: CN(C)C1C2CC3C(C4=C(C=CC(=C4C(=C3C(=O)C2(C(=C(C1=O)C(=O)N)O)O)O)O)Cl)O.Cl

InChIKey: OAPVUSSHCBRCOL-KBHRXELFSA-N

InChI: InChI=1S/C21H21ClN2O8.ClH/c1-24(2)14-7-5-6-10(16(27)12-9(25)4-3-8(22)11(12)15(6)26)18(29)21(7,32)19(30)13(17(14)28)20(23)31;/h3-4,6-7,14-15,25-27,30,32H,5H2,1-2H3,(H2,23,31);1H/t6-,7-,14-,15-,21-;/m0./s1

分子式: C₁₆H₈N₂Na₂O₆S₄        分子量: 498.47

IUPAC Name: disodium;5-isothiocyanato-2-[(E)-2-(4-isothiocyanato-2-sulfonatophenyl)ethenyl]benzenesulfonate

SMILES: C1=CC(=C(C=C1N=C=S)S(=O)(=O)[O-])C=CC2=C(C=C(C=C2)N=C=S)S(=O)(=O)[O-].[Na+].[Na+]

InChIKey: GEPAYBXVXXBSKP-SEPHDYHBSA-L

InChI: InChI=1S/C16H10N2O6S4.2Na/c19-27(20,21)15-7-13(17-9-25)5-3-11(15)1-2-12-4-6-14(18-10-26)8-16(12)28(22,23)24;;/h1-8H,(H,19,20,21)(H,22,23,24);;/q;2*+1/p-2/b2-1+;;

分子式: C₁₅H₁₀O₅        分子量: 270.24

IUPAC Name: 1,3,8-trihydroxy-6-methylanthracene-9,10-dione

SMILES: CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2=O)C=C(C=C3O)O

InChIKey: RHMXXJGYXNZAPX-UHFFFAOYSA-N

InChI: InChI=1S/C15H10O5/c1-6-2-8-12(10(17)3-6)15(20)13-9(14(8)19)4-7(16)5-11(13)18/h2-5,16-18H,1H3

分子式: C₁₀₄H₁₅₁N₂₅O₂₆S        分子量: 2199.53

IUPAC Name: (2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3R)-2-[[(2S)-2-[(2-aminoacetyl)amino]-3-(1H-indol-3-yl)propanoyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-4-oxobutanoyl]amino]-3-hydroxypropanoyl]amino]propanoyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoyl]amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]-N-[(2S)-5-amino-1-[[(2S)-1-[[(2S)-1-[[2-[[(2S)-1-[[(2S)-1-amino-4-methylsulfanyl-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1,5-dioxopentan-2-yl]pentanediamide

SMILES: CC(C)CC(C(=O)NC(CCSC)C(=O)N)NC(=O)CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)NC(=O)C3CCCN3C(=O)CNC(=O)C(CC(C)C)NC(=O)C(CC(C)C)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)CNC(=O)C(C)NC(=O)C(CO)NC(=O)C(CC(=O)N)NC(=O)C(CC(C)C)NC(=O)C(C(C)O)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)CN

InChIKey: TZOJVPDIYKRJSM-GKPUQKAJSA-N

InChI: InChI=1S/C104H151N25O26S/c1-54(2)39-70(91(142)113-52-87(139)129-37-20-27-80(129)103(154)120-69(33-35-82(107)134)93(144)119-68(32-34-81(106)133)94(145)124-76(44-61-23-16-13-17-24-61)99(150)123-74(43-60-21-14-12-15-22-60)92(143)112-51-86(138)116-71(40-55(3)4)95(146)118-67(89(109)140)36-38-156-11)121-96(147)72(41-56(5)6)122-98(149)75(45-62-28-30-64(132)31-29-62)117-85(137)50-111-90(141)58(9)114-102(153)79(53-130)127-100(151)78(47-83(108)135)125-97(148)73(42-57(7)8)126-104(155)88(59(10)131)128-101(152)77(115-84(136)48-105)46-63-49-110-66-26-19-18-25-65(63)66/h12-19,21-26,28-31,49,54-59,67-80,88,110,130-132H,20,27,32-48,50-53,105H2,1-11H3,(H2,106,133)(H2,107,134)(H2,108,135)(H2,109,140)(H,111,141)(H,112,143)(H,113,142)(H,114,153)(H,115,136)(H,116,138)(H,117,137)(H,118,146)(H,119,144)(H,120,154)(H,121,147)(H,122,149)(H,123,150)(H,124,145)(H,125,148)(H,126,155)(H,127,151)(H,128,152)/t58-,59+,67-,68-,69-,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,88-/m0/s1

分子式: C₆H₁₃15NO₂        分子量: 132.17

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

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

InChIKey: AGPKZVBTJJNPAG-NNXLWEQRSA-N

InChI: InChI=1S/C6H13NO2/c1-3-4(2)5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t4-,5-/m0/s1/i7+1