| LFI | Name: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one | Formula: | C12 H18 Br3 N3 O3 | SMILES: | BrCCC(=O)N1CN(CN(C1)C(=O)CCBr)C(=O)CCBr | InChi: | InChI=1S/C12H18Br3N3O3/c13-4-1-10(19)16-7-17(11(20)2-5-14)9-18(8-16)12(21)3-6-15/h1-9H2 | Synonyms: | Chemical crosslinker | Definition date: | 2022-07-01 | Last modified: | 2024-09-27 | Release date: | 2023-09-20 | Identifier: | 1-[3,5-bis(3-bromanylpropanoyl)-1,3,5-triazinan-1-yl]-3-bromanyl-propan-1-one |
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| 51T | Name: | 2,3,6-trifluoro-L-tyrosine | Formula: | C9 H8 F3 N O3 | SMILES: | NC(Cc1c(cc(c(c1F)F)O)F)C(=O)O | InChi: | InChI=1S/C9H8F3NO3/c10-4-2-6(14)8(12)7(11)3(4)1-5(13)9(15)16/h2,5,14H,1,13H2,(H,15,16)/t5-/m0/s1 | Definition date: | 2015-07-13 | Last modified: | 2024-09-27 | Release date: | 2016-06-22 | Identifier: | 2,3,6-trifluoro-L-tyrosine |
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| 523 | Name: | 2'-DEOXY-5-METHYLCYTIDINE 5'-(TETRAHYDROGEN TRIPHOSPHATE) | Formula: | C10 H19 N3 O13 P3 | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC([N+]=1C(=O)NC(N)=C(C=1)C)CC2O | InChi: | InChI=1S/C10H18N3O13P3/c1-5-3-13(10(15)12-9(5)11)8-2-6(14)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,14H,2,4H2,1H3,(H6,11,12,15,16,17,18,19,20,21,22)/p+1/t6-,7+,8+/m0/s1 | Synonyms: | 5-METHYL-2'-DEOXY-CYTIDINE-5'-TRIPHOSPHATE | Definition date: | 2007-01-22 | Last modified: | 2024-09-27 | Identifier: | 2'-deoxy-5-methylcytidine 5'-(tetrahydrogen triphosphate) |
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| LFW | Name: | (3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate | Formula: | C17 H11 I O4 | SMILES: | Cc1ccc2OC(=O)C(=Cc2c1)C(=O)Oc3cccc(I)c3 | InChi: | InChI=1S/C17H11IO4/c1-10-5-6-15-11(7-10)8-14(17(20)22-15)16(19)21-13-4-2-3-12(18)9-13/h2-9H,1H3 | Definition date: | 2019-08-14 | Last modified: | 2024-09-27 | Release date: | 2020-05-20 | Identifier: | (3-iodanylphenyl) 6-methyl-2-oxidanylidene-chromene-3-carboxylate |
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| LGG | Name: | N-ACETYL-L-ALPHA-GLUTAMYL-L-PHENYLALANYL-L-GLUTAMINYL-N-[(1S)-4-AMINO-1-(2-CARBOXYETHYL)-4-OXOBUTYL]-L-LEUCINAMIDE | Formula: | C34 H51 N7 O11 | SMILES: | O=C(N)CCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C)CCC(=O)O)Cc1ccccc1)CCC(=O)N)CC(C)C)CCC(=O)O | InChi: | InChI=1S/C34H51N7O11/c1-19(2)17-25(33(51)38-22(9-13-27(35)43)10-15-29(45)46)40-32(50)24(11-14-28(36)44)39-34(52)26(18-21-7-5-4-6-8-21)41-31(49)23(37-20(3)42)12-16-30(47)48/h4-8,19,22-26H,9-18H2,1-3H3,(H2,35,43)(H2,36,44)(H,37,42)(H,38,51)(H,39,52)(H,40,50)(H,41,49)(H,45,46)(H,47,48)/t22-,23-,24-,25-,26-/m0/s1 | Definition date: | 2006-10-13 | Last modified: | 2024-09-27 | Identifier: | N-acetyl-L-alpha-glutamyl-L-phenylalanyl-L-glutaminyl-N-[(1S)-4-amino-1-(2-carboxyethyl)-4-oxobutyl]-L-leucinamide |
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| 52T | Name: | (4R,7R)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate | Formula: | C19 H26 N4 O4 | SMILES: | C(n2c1c(C(OC(NC(C)C)=O)CCC1(O)C)nn2)c3ccc(cc3)OC | InChi: | InChI=1S/C19H26N4O4/c1-12(2)20-18(24)27-15-9-10-19(3,25)17-16(15)21-22-23(17)11-13-5-7-14(26-4)8-6-13/h5-8,12,15,25H,9-11H2,1-4H3,(H,20,24)/t15-,19-/m1/s1 | Definition date: | 2015-07-20 | Last modified: | 2024-09-27 | Release date: | 2016-01-13 | Identifier: | (4R,7R)-7-hydroxy-1-(4-methoxybenzyl)-7-methyl-4,5,6,7-tetrahydro-1H-benzotriazol-4-yl propan-2-ylcarbamate |
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| LGY | Name: | (E)-N~6~-(4-oxobutylidene)-L-lysine | Formula: | C10 H18 N2 O3 | SMILES: | O=C(O)C(N)CCCC/N=C/CCC=O | InChi: | InChI=1S/C10H18N2O3/c11-9(10(14)15)5-1-2-6-12-7-3-4-8-13/h7-9H,1-6,11H2,(H,14,15)/b12-7+/t9-/m0/s1 | Definition date: | 2010-07-16 | Last modified: | 2024-09-27 | Identifier: | (E)-N~6~-(4-oxobutylidene)-L-lysine |
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| LH2 | Name: | 4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide | Formula: | C16 H18 B N3 O2 | SMILES: | NC(=N)c1ccc(NC[CH]2Cc3ccccc3B(O)O2)cc1 | InChi: | InChI=1S/C16H18BN3O2/c18-16(19)11-5-7-13(8-6-11)20-10-14-9-12-3-1-2-4-15(12)17(21)22-14/h1-8,14,20-21H,9-10H2,(H3,18,19)/t14-/m0/s1 | Definition date: | 2019-08-15 | Last modified: | 2024-09-27 | Release date: | 2019-09-25 | Identifier: | 4-[[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]methylamino]benzenecarboximidamide |
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| LH5 | Name: | 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide | Formula: | C21 H20 B N3 O3 | SMILES: | NC(=N)c1ccc(cc1OCc2cccnc2)[CH]3Cc4ccccc4B(O)O3 | InChi: | InChI=1S/C21H20BN3O3/c23-21(24)17-8-7-16(11-20(17)27-13-14-4-3-9-25-12-14)19-10-15-5-1-2-6-18(15)22(26)28-19/h1-9,11-12,19,26H,10,13H2,(H3,23,24)/t19-/m0/s1 | Definition date: | 2019-08-15 | Last modified: | 2024-09-27 | Release date: | 2019-09-25 | Identifier: | 4-[(3~{S})-1-oxidanyl-3,4-dihydro-2,1-benzoxaborinin-3-yl]-2-(pyridin-3-ylmethoxy)benzenecarboximidamide |
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| LHC | Name: | (2S)-2-amino-4-(4-amino-2-oxopyrimidin-1(2H)-yl)butanoic acid | Formula: | C8 H12 N4 O3 | SMILES: | O=C1N=C(C=CN1CCC(C(=O)O)N)N | InChi: | InChI=1S/C8H12N4O3/c9-5(7(13)14)1-3-12-4-2-6(10)11-8(12)15/h2,4-5H,1,3,9H2,(H,13,14)(H2,10,11,15)/t5-/m0/s1 | Definition date: | 2008-02-12 | Last modified: | 2024-09-27 | Identifier: | (2S)-2-amino-4-(4-amino-2-oxopyrimidin-1(2H)-yl)butanoic acid |
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| LHE | Name: | N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-norvaline | Formula: | C12 H26 N2 O3 | SMILES: | O=C(O)C(NCC(O)C(N)CC(C)C)CCC | InChi: | InChI=1S/C12H26N2O3/c1-4-5-10(12(16)17)14-7-11(15)9(13)6-8(2)3/h8-11,14-15H,4-7,13H2,1-3H3,(H,16,17)/t9-,10-,11+/m0/s1 | Definition date: | 2014-06-23 | Last modified: | 2024-09-27 | Release date: | 2015-07-01 | Identifier: | N-[(2R,3S)-3-amino-2-hydroxy-5-methylhexyl]-L-norvaline |
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| LHV | Name: | (2S)-2-hydroxy-3-methylbutanoic acid | Formula: | C5 H10 O3 | SMILES: | O=C(O)C(O)C(C)C | InChi: | InChI=1S/C5H10O3/c1-3(2)4(6)5(7)8/h3-4,6H,1-2H3,(H,7,8)/t4-/m0/s1 | Definition date: | 2012-10-16 | Last modified: | 2024-09-27 | Release date: | 2016-04-20 | Identifier: | (2S)-2-hydroxy-3-methylbutanoic acid |
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| 54C | Name: | (betaR)-beta-hydroxy-1-{2-[(2R)-oxiran-2-yl]propan-2-yl}-L-tryptophan | Formula: | C16 H20 N2 O4 | SMILES: | C(C(=O)O)(N)C(c1cn(c2c1cccc2)C(C)(C)C3CO3)O | InChi: | InChI=1S/C16H20N2O4/c1-16(2,12-8-22-12)18-7-10(14(19)13(17)15(20)21)9-5-3-4-6-11(9)18/h3-7,12-14,19H,8,17H2,1-2H3,(H,20,21)/t12-,13-,14+/m0/s1 | Definition date: | 2015-07-23 | Last modified: | 2024-09-27 | Release date: | 2015-10-28 | Identifier: | (betaR)-beta-hydroxy-1-{2-[(2R)-oxiran-2-yl]propan-2-yl}-L-tryptophan |
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| LI5 | Name: | 2-HYDROXY-4,5-DIOXOHEPTYL HYDROGEN PHOSPHONATE | Formula: | C7 H13 O6 P | SMILES: | O=P(O)OCC(O)CC(=O)C(=O)CC | InChi: | InChI=1S/C7H13O6P/c1-2-6(9)7(10)3-5(8)4-13-14(11)12/h5,8,14H,2-4H2,1H3,(H,11,12)/t5-/m1/s1 | Definition date: | 2005-01-03 | Last modified: | 2024-09-27 | Identifier: | (2R)-2-hydroxy-4,5-dioxoheptyl hydrogen (R)-phosphonate |
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| 54G | Name: | 2-hydroxy-5-methylbenzoic acid | Formula: | C8 H8 O3 | SMILES: | c1cc(c(cc1C)C(O)=O)O | InChi: | InChI=1S/C8H8O3/c1-5-2-3-7(9)6(4-5)8(10)11/h2-4,9H,1H3,(H,10,11) | Definition date: | 2015-07-23 | Last modified: | 2024-09-27 | Release date: | 2016-07-27 | Identifier: | 2-hydroxy-5-methylbenzoic acid |
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| 54I | Name: | (3E)-3-(hydroxyimino)propanoic acid | Formula: | C3 H5 N O3 | SMILES: | O=C(O)CC=NO | InChi: | InChI=1S/C3H5NO3/c5-3(6)1-2-4-7/h2,7H,1H2,(H,5,6)/b4-2+ | Definition date: | 2021-07-15 | Last modified: | 2024-09-27 | Release date: | 2021-12-01 | Identifier: | (3E)-3-(hydroxyimino)propanoic acid |
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| 54L | Name: | pent-4-ynoic acid | Formula: | C5 H6 O2 | SMILES: | C(CCC#C)(=O)O | InChi: | InChI=1S/C5H6O2/c1-2-3-4-5(6)7/h1H,3-4H2,(H,6,7) | Definition date: | 2015-07-23 | Last modified: | 2024-09-27 | Release date: | 2015-12-02 | Identifier: | pent-4-ynoic acid |
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| 55I | Name: | 4-(trifluoromethyl)-L-phenylalanine | Formula: | C10 H10 F3 N O2 | SMILES: | FC(F)(F)c1ccc(CC(N)C(=O)O)cc1 | InChi: | InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1 | Definition date: | 2021-07-16 | Last modified: | 2024-09-27 | Release date: | 2021-09-29 | Identifier: | 4-(trifluoromethyl)-L-phenylalanine |
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| 55S | Name: | 6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine | Formula: | C20 H25 N5 O3 S | SMILES: | c4c(Nc3nc1ncnc1c(OCC2CCCCC2)n3)ccc(c4)S(=O)(CC)=O | InChi: | InChI=1S/C20H25N5O3S/c1-2-29(26,27)16-10-8-15(9-11-16)23-20-24-18-17(21-13-22-18)19(25-20)28-12-14-6-4-3-5-7-14/h8-11,13-14H,2-7,12H2,1H3,(H2,21,22,23,24,25) | Definition date: | 2015-07-30 | Last modified: | 2024-09-27 | Release date: | 2015-09-16 | Identifier: | 6-(cyclohexylmethoxy)-N-[4-(ethylsulfonyl)phenyl]-9H-purin-2-amine |
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| LJN | Name: | [(2~{R},3~{S},4~{R},5~{R})-5-[4-(acetamidomethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate | Formula: | C10 H17 N4 O8 P | SMILES: | CC(=O)NCc1cn(nn1)[CH]2O[CH](CO[P](O)(O)=O)[CH](O)[CH]2O | InChi: | InChI=1S/C10H17N4O8P/c1-5(15)11-2-6-3-14(13-12-6)10-9(17)8(16)7(22-10)4-21-23(18,19)20/h3,7-10,16-17H,2,4H2,1H3,(H,11,15)(H2,18,19,20)/t7-,8-,9-,10-/m1/s1 | Definition date: | 2019-08-20 | Last modified: | 2024-09-27 | Release date: | 2020-03-18 | Identifier: | [(2~{R},3~{S},4~{R},5~{R})-5-[4-(acetamidomethyl)-1,2,3-triazol-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate |
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| 562 | Name: | N~5~-[N-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-L-ornithine | Formula: | C12 H26 N7 O4 | SMILES: | NC(CCCNC(=N)NCCOCCOCCN=[N+]=N)C(=O)O | InChi: | InChI=1S/C12H25N7O4/c13-10(11(20)21)2-1-3-16-12(14)17-4-6-22-8-9-23-7-5-18-19-15/h10,15H,1-9,13H2,(H3-,14,16,17,20,21)/p+1/t10-/m0/s1 | Definition date: | 2015-07-31 | Last modified: | 2024-09-27 | Release date: | 2018-03-14 | Identifier: | N~5~-[N-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethyl)carbamimidoyl]-L-ornithine |
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| 56A | Name: | 3-(8-phenyloctyl)-L-histidine | Formula: | C20 H29 N3 O2 | SMILES: | O=C(O)C(N)Cc1cncn1CCCCCCCCc2ccccc2 | InChi: | InChI=1S/C20H29N3O2/c21-19(20(24)25)14-18-15-22-16-23(18)13-9-4-2-1-3-6-10-17-11-7-5-8-12-17/h5,7-8,11-12,15-16,19H,1-4,6,9-10,13-14,21H2,(H,24,25)/t19-/m0/s1 | Definition date: | 2011-04-29 | Last modified: | 2024-09-27 | Identifier: | 3-(8-phenyloctyl)-L-histidine |
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| 56C | Name: | N~5~-{N-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-L-ornithine | Formula: | C14 H30 N7 O5 | SMILES: | NC(C(=O)O)CCCNC(=N)NCCOCCOCCOCC/N=[N+]=N | InChi: | InChI=1S/C14H29N7O5/c15-12(13(22)23)2-1-3-18-14(16)19-4-6-24-8-10-26-11-9-25-7-5-20-21-17/h12,17H,1-11,15H2,(H3-,16,18,19,22,23)/p+1/t12-/m0/s1 | Definition date: | 2015-08-03 | Last modified: | 2024-09-27 | Release date: | 2018-03-14 | Identifier: | N~5~-{N-[2-(2-{2-[2-(triaza-1,2-dien-2-ium-1-yl)ethoxy]ethoxy}ethoxy)ethyl]carbamimidoyl}-L-ornithine |
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| LK5 | Name: | (1S,4R,7AR)-4-BUTOXY-1-[(1R)-1-FORMYLPROPYL]-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID | Formula: | C17 H27 N O4 | SMILES: | O=CC(C2NC(=C1C(OCCCC)CCCC12)C(=O)O)CC | InChi: | InChI=1S/C17H27NO4/c1-3-5-9-22-13-8-6-7-12-14(13)16(17(20)21)18-15(12)11(4-2)10-19/h10-13,15,18H,3-9H2,1-2H3,(H,20,21)/t11-,12+,13+,15+/m0/s1 | Definition date: | 2007-06-15 | Last modified: | 2024-09-27 | Identifier: | (1S,4R,7aR)-4-butoxy-1-[(1R)-1-formylpropyl]-2,4,5,6,7,7a-hexahydro-1H-isoindole-3-carboxylic acid |
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| LK7 | Name: | (1R,4S,7AS)-1-(1-FORMYLPROP-1-EN-1-YL)-4-METHOXY-2,4,5,6,7,7A-HEXAHYDRO-1H-ISOINDOLE-3-CARBOXYLIC ACID | Formula: | C14 H19 N O4 | SMILES: | O=C/C(=C/C)C1NC(=C2C1CCCC2OC)C(=O)O | InChi: | InChI=1S/C14H19NO4/c1-3-8(7-16)12-9-5-4-6-10(19-2)11(9)13(15-12)14(17)18/h3,7,9-10,12,15H,4-6H2,1-2H3,(H,17,18)/b8-3-/t9-,10-,12-/m0/s1 | Definition date: | 2007-06-15 | Last modified: | 2024-09-27 | Identifier: | (1R,4S,7aS)-1-[(1E)-1-formylprop-1-en-1-yl]-4-methoxy-2,4,5,6,7,7a-hexahydro-1H-isoindole-3-carboxylic acid |
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