代谢酶/蛋白酶

分子式: C₁₂₇H₂₀₃N₄₅O₃₉S₃        分子量: 3080.44

分子式: C₆H₆N₄O₂        分子量: 166.14

IUPAC Name: 1-methyl-3,7-dihydropurine-2,6-dione

SMILES: CN1C(=O)C2=C(NC1=O)N=CN2

InChIKey: MVOYJPOZRLFTCP-UHFFFAOYSA-N

InChI: InChI=1S/C6H6N4O2/c1-10-5(11)3-4(8-2-7-3)9-6(10)12/h2H,1H3,(H,7,8)(H,9,12)

分子式: C₁₄H₄N₂Na₂O₈        分子量: 374.17

IUPAC Name: disodium;2-carboxy-4,5-dioxo-1H-pyrrolo[2,3-f]quinoline-7,9-dicarboxylate

SMILES: C1=C(C2=C(C(=O)C(=O)C3=C2NC(=C3)C(=O)O)N=C1C(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChIKey: UFVBOGYDCJNLPM-UHFFFAOYSA-L

InChI: InChI=1S/C14H6N2O8.2Na/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18;;/h1-2,15H,(H,19,20)(H,21,22)(H,23,24);;/q;2*+1/p-2

分子式: C₇H₆O₄        分子量: 154.12

IUPAC Name: 3,4-dihydroxybenzoic acid

SMILES: C1=CC(=C(C=C1C(=O)O)O)O

InChIKey: YQUVCSBJEUQKSH-UHFFFAOYSA-N

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

分子式: C₁₇H₁₉NO₅        分子量: 317.34

IUPAC Name: 1-[(E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoyl]-2,3-dihydropyridin-6-one

SMILES: COC1=CC(=CC(=C1OC)OC)C=CC(=O)N2CCC=CC2=O

InChIKey: VABYUUZNAVQNPG-BQYQJAHWSA-N

InChI: InChI=1S/C17H19NO5/c1-21-13-10-12(11-14(22-2)17(13)23-3)7-8-16(20)18-9-5-4-6-15(18)19/h4,6-8,10-11H,5,9H2,1-3H3/b8-7+

分子式: CH₃SeCH₂CH₂CH(NH₂)CO₂H        分子量: 196.11

IUPAC Name: (2S)-2-amino-4-methylselanylbutanoic acid

SMILES: C[Se]CCC(C(=O)O)N

InChIKey: RJFAYQIBOAGBLC-BYPYZUCNSA-N

InChI: InChI=1S/C5H11NO2Se/c1-9-3-2-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)/t4-/m0/s1

分子式: C₁₆H₂₇N₃O₄S        分子量: 357.47

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

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

InChIKey: CMUGHZFPFWNUQT-HUBLWGQQSA-N

InChI: InChI=1S/C16H27N3O4S/c20-13(17-9-5-1-2-8-14(21)22)7-4-3-6-12-15-11(10-24-12)18-16(23)19-15/h11-12,15H,1-10H2,(H,17,20)(H,21,22)(H2,18,19,23)/t11-,12-,15-/m0/s1

分子式: C₁₇₆H₃₀₁N₅₁O₄₂S        分子量: 3835.65

IUPAC Name: (4S)-4-[[2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-2-[[(2S)-1-[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[2-[[(2S)-4-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-4-amino-2-[[(2S)-2-[[2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S,3S)-2-[[(2S)-6-amino-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-6-amino-2-[[(2S)-2-[[(2S)-2,6-diaminohexanoyl]amino]-3-(1H-indol-3-yl)propanoyl]amino]hexanoyl]amino]-3-methylbutanoyl]amino]-3-phenylpropanoyl]amino]hexanoyl]amino]hexanoyl]amino]-3-methylpentanoyl]amino]-4-carboxybutanoyl]amino]hexanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]-3-methylpentanoyl]amino]-5-carbamimidamidopentanoyl]amino]-4-oxobutanoyl]amino]acetyl]amino]-3-methylpentanoyl]amino]-3-methylbutanoyl]amino]hexanoyl]amino]propanoyl]amino]acetyl]pyrrolidine-2-carbonyl]amino]propanoyl]amino]-3-methylpentanoyl]amino]propanoyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-5-[[(2S)-1-[[(2S)-6-amino-1-[[(2S)-1-[[(2S)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]amino]-1-oxopropan-2-yl]amino]-5-oxopentanoic acid

SMILES: CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NCC(=O)N1CCCC1C(=O)NC(C)C(=O)NC(C(C)CC)C(=O)NC(C)C(=O)NC(C(C)C)C(=O)NC(CC(C)C)C(=O)NCC(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NC(C)C(=O)NC(CC(C)C)C(=O)N)NC(=O)CNC(=O)C(CC(=O)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(C(C)CC)NC(=O)C(CC(=O)N)NC(=O)C(CCCNC(=N)N)NC(=O)CNC(=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)CC)NC(=O)C(CCCCN)NC(=O)C(CCCCN)NC(=O)C(CC2=CC=CC=C2)NC(=O)C(C(C)C)NC(=O)C(CCCCN)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CCCCN)N

InChIKey: YIQHNFUJWYYSEC-MQAAYMCRSA-N

InChI: InChI=1S/C176H302N52O41S/c1-25-97(15)140(174(269)224-139(96(13)14)168(263)212-113(57-36-43-72-179)155(250)199-101(19)145(240)198-91-134(234)228-79-50-64-128(228)167(262)202-104(22)149(244)225-141(98(16)26-2)171(266)203-105(23)148(243)222-137(94(9)10)169(264)219-123(82-93(7)8)152(247)196-89-132(232)205-119(65-67-135(235)236)156(251)201-102(20)146(241)206-112(56-35-42-71-178)154(249)200-103(21)147(242)215-122(144(187)239)81-92(5)6)221-133(233)90-197-153(248)126(85-129(185)229)217-160(255)118(63-49-78-193-176(190)191)213-172(267)143(100(18)28-4)227-166(261)127(86-130(186)230)218-157(252)111(62-48-77-192-175(188)189)204-131(231)88-195-151(246)121(69-80-270-24)211-159(254)114(58-37-44-73-180)207-161(256)120(66-68-136(237)238)214-173(268)142(99(17)27-3)226-163(258)117(61-40-47-76-183)208-158(253)115(59-38-45-74-181)209-164(259)124(83-106-51-30-29-31-52-106)220-170(265)138(95(11)12)223-162(257)116(60-39-46-75-182)210-165(260)125(216-150(245)109(184)54-34-41-70-177)84-107-87-194-110-55-33-32-53-108(107)110/h29-33,51-53,55,87,92-105,109,111-128,137-143,194H,25-28,34-50,54,56-86,88-91,177-184H2,1-24H3,(H2,185,229)(H2,186,230)(H2,187,239)(H,195,246)(H,196,247)(H,197,248)(H,198,240)(H,199,250)(H,200,249)(H,201,251)(H,202,262)(H,203,266)(H,204,231)(H,205,232)(H,206,241)(H,207,256)(H,208,253)(H,209,259)(H,210,260)(H,211,254)(H,212,263)(H,213,267)(H,214,268)(H,215,242)(H,216,245)(H,217,255)(H,218,252)(H,219,264)(H,220,265)(H,221,233)(H,222,243)(H,223,257)(H,224,269)(H,225,244)(H,226,258)(H,227,261)(H,235,236)(H,237,238)(H4,188,189,192)(H4,190,191,193)/t97-,98-,99-,100-,101-,102-,103-,104-,105-,109-,111-,112-,113-,114-,115-,116-,117-,118-,119-,120-,121-,122-,123-,124-,125-,126-,127-,128-,137-,138-,139-,140-,141-,142-,143-/m0/s1

分子式: C₁₈H₂₃N₅O₈PNa        分子量: 491.37

IUPAC Name: sodium;[(4aR,6R,7R,7aR)-6-[6-(butanoylamino)purin-9-yl]-2-oxido-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-7-yl] butanoate

SMILES: CCCC(=O)NC1=C2C(=NC=N1)N(C=N2)C3C(C4C(O3)COP(=O)(O4)[O-])OC(=O)CCC.[Na+]

InChIKey: KRBZRVBLIUDQNG-JBVYASIDSA-M

InChI: InChI=1S/C18H24N5O8P.Na/c1-3-5-11(24)22-16-13-17(20-8-19-16)23(9-21-13)18-15(30-12(25)6-4-2)14-10(29-18)7-28-32(26,27)31-14;/h8-10,14-15,18H,3-7H2,1-2H3,(H,26,27)(H,19,20,22,24);/q;+1/p-1/t10-,14-,15-,18-;/m1./s1

分子式: C₂₁H₃₀O₃        分子量: 330.46

IUPAC Name: (8S,9S,10R,13S,14S,17S)-17-(2-hydroxyacetyl)-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one

SMILES: CC12CCC3C(C1CCC2C(=O)CO)CCC4=CC(=O)CCC34C

InChIKey: ZESRJSPZRDMNHY-YFWFAHHUSA-N

InChI: InChI=1S/C21H30O3/c1-20-9-7-14(23)11-13(20)3-4-15-16-5-6-18(19(24)12-22)21(16,2)10-8-17(15)20/h11,15-18,22H,3-10,12H2,1-2H3/t15-,16-,17-,18+,20-,21-/m0/s1

分子式: C₁₈H₁₂N₅O₆        分子量: 394.32

分子式: C₁₉H₂₆O₇        分子量: 366.41

IUPAC Name: [(1S,2R,7R,9R,10R,11S,12S)-11-acetyloxy-10-hydroxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate

SMILES: CC1=CC2C(CC1)(C3(C(C(C(C34CO4)O2)O)OC(=O)C)C)COC(=O)C

InChIKey: AUGQEEXBDZWUJY-NMAPUUFXSA-N

InChI: InChI=1S/C19H26O7/c1-10-5-6-18(8-23-11(2)20)13(7-10)26-16-14(22)15(25-12(3)21)17(18,4)19(16)9-24-19/h7,13-16,22H,5-6,8-9H2,1-4H3/t13-,14-,15-,16-,17-,18-,19+/m1/s1