 | | XPL | | Name: | N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine | | Formula: | C12 H24 N4 O3 | | SMILES: | O=C(NCCCCC(C(=O)O)N)C1NC(N)CC1C | | InChi: | InChI=1S/C12H24N4O3/c1-7-6-9(14)16-10(7)11(17)15-5-3-2-4-8(13)12(18)19/h7-10,16H,2-6,13-14H2,1H3,(H,15,17)(H,18,19)/t7-,8+,9-,10-/m1/s1 | | Synonyms: | 4-amino reduced pyrrolysine | | Definition date: | 2014-07-30 | | Last modified: | 2024-09-27 | | Identifier: | N~6~-[(3R,5R)-5-amino-3-methyl-D-prolyl]-L-lysine |
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 | | XPM | | Name: | tetradecylpropanedioic acid | | Formula: | C17 H32 O4 | | SMILES: | O=C(O)C(C(=O)O)CCCCCCCCCCCCCC | | InChi: | InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15(16(18)19)17(20)21/h15H,2-14H2,1H3,(H,18,19)(H,20,21) | | Definition date: | 2011-10-05 | | Last modified: | 2024-09-27 | | Release date: | 2012-08-24 | | Identifier: | tetradecylpropanedioic acid |
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 | | KYQ | | Name: | (E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine | | Formula: | C9 H16 N2 O5 | | SMILES: | O=C(O)C(N)CCCC/N=C(/C(=O)O)CO | | InChi: | InChI=1S/C9H16N2O5/c10-6(8(13)14)3-1-2-4-11-7(5-12)9(15)16/h6,12H,1-5,10H2,(H,13,14)(H,15,16)/b11-7+/t6-/m0/s1 | | Definition date: | 2008-04-04 | | Last modified: | 2024-09-27 | | Identifier: | (E)-N~6~-(1-carboxy-2-hydroxyethylidene)-L-lysine |
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 | | LCK | | Name: | (Z)-N~6~-(2-carboxy-1-methylethylidene)-L-lysine | | Formula: | C10 H18 N2 O4 | | SMILES: | O=C(O)CC(=N/CCCCC(N)C(=O)O)C | | InChi: | InChI=1S/C10H18N2O4/c1-7(6-9(13)14)12-5-3-2-4-8(11)10(15)16/h8H,2-6,11H2,1H3,(H,13,14)(H,15,16)/b12-7-/t8-/m0/s1 | | Definition date: | 2008-02-15 | | Last modified: | 2024-09-27 | | Identifier: | (Z)-N~6~-(2-carboxy-1-methylethylidene)-L-lysine |
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 | | AVH | | Name: | (1R,2R,4R)-4-ethenylcyclohexane-1,2-diol | | Formula: | C8 H14 O2 | | SMILES: | C1(CCC(C=C)CC1O)O | | InChi: | InChI=1S/C8H14O2/c1-2-6-3-4-7(9)8(10)5-6/h2,6-10H,1,3-5H2/t6-,7?,8-/m1/s1 | | Definition date: | 2016-11-11 | | Last modified: | 2024-09-27 | | Release date: | 2017-10-11 | | Identifier: | (1R,2R,4R)-4-ethenylcyclohexane-1,2-diol |
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 | | XCP | | Name: | (1S,2S)-2-aminocyclopentanecarboxylic acid | | Formula: | C6 H11 N O2 | | SMILES: | O=C(O)C1CCCC1N | | InChi: | InChI=1S/C6H11NO2/c7-5-3-1-2-4(5)6(8)9/h4-5H,1-3,7H2,(H,8,9)/t4-,5-/m0/s1 | | Definition date: | 2008-02-05 | | Last modified: | 2024-09-27 | | Identifier: | (1S,2S)-2-aminocyclopentanecarboxylic acid |
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 | | ZUK | | Name: | 5-pyrimidin-2-yl-D-norvaline | | Formula: | C9 H13 N3 O2 | | SMILES: | O=C(O)C(N)CCCc1ncccn1 | | InChi: | InChI=1S/C9H13N3O2/c10-7(9(13)14)3-1-4-8-11-5-2-6-12-8/h2,5-7H,1,3-4,10H2,(H,13,14)/t7-/m1/s1 | | Definition date: | 2009-07-31 | | Last modified: | 2024-09-27 | | Identifier: | 5-pyrimidin-2-yl-D-norvaline |
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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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 | | YCP | | Name: | (2S)-piperidine-2-carboxylic acid | | Formula: | C6 H11 N O2 | | SMILES: | OC(=O)[CH]1CCCCN1 | | InChi: | InChI=1S/C6H11NO2/c8-6(9)5-3-1-2-4-7-5/h5,7H,1-4H2,(H,8,9)/t5-/m0/s1 | | Definition date: | 2010-01-07 | | Last modified: | 2024-09-27 | | Identifier: | (2S)-piperidine-2-carboxylic acid |
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 | | KPF | | Name: | N-(1-carboxy-2-fluoro-ethenyl) lysine | | Formula: | C9 H15 F N2 O4 | | SMILES: | N[CH](CCCCN=C(CF)C(O)=O)C(O)=O | | InChi: | InChI=1S/C9H15FN2O4/c10-5-7(9(15)16)12-4-2-1-3-6(11)8(13)14/h6H,1-5,11H2,(H,13,14)(H,15,16)/b12-7+/t6-/m0/s1 | | Definition date: | 2015-07-15 | | Last modified: | 2024-09-27 | | Release date: | 2015-11-18 | | Identifier: | (2S)-2-azanyl-6-[(Z)-(3-fluoranyl-1-oxidanyl-1-oxidanylidene-propan-2-ylidene)amino]hexanoic acid |
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 | | KPI | | Name: | (2S)-2-amino-6-[(1-hydroxy-1-oxo-propan-2-ylidene)amino]hexanoic acid | | Formula: | C9 H16 N2 O4 | | SMILES: | OC(C(N)CCCCN=C(/C)C(O)=O)=O | | InChi: | InChI=1S/C9H16N2O4/c1-6(8(12)13)11-5-3-2-4-7(10)9(14)15/h7H,2-5,10H2,1H3,(H,12,13)(H,14,15)/b11-6+/t7-/m0/s1 | | Definition date: | 2008-07-25 | | Last modified: | 2024-09-27 | | Identifier: | (E)-N~6~-(1-carboxyethylidene)-L-lysine |
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 | | ZYJ | | Name: | (4R)-4-({[(1E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline | | Formula: | C14 H18 N2 O5 | | SMILES: | O=C(O)C2NCC(ON=Cc1ccc(OC)c(OC)c1)C2 | | InChi: | InChI=1S/C14H18N2O5/c1-19-12-4-3-9(5-13(12)20-2)7-16-21-10-6-11(14(17)18)15-8-10/h3-5,7,10-11,15H,6,8H2,1-2H3,(H,17,18)/b16-7+/t10-,11+/m1/s1 | | Definition date: | 2010-10-22 | | Last modified: | 2024-09-27 | | Identifier: | (4R)-4-({[(E)-(3,4-dimethoxyphenyl)methylidene]amino}oxy)-L-proline |
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 | | ZYK | | Name: | (4R)-4-({[(3,4-dimethoxyphenyl)carbonyl]amino}oxy)-L-proline | | Formula: | C14 H18 N2 O6 | | SMILES: | O=C(NOC1CC(C(=O)O)NC1)c2ccc(OC)c(OC)c2 | | InChi: | InChI=1S/C14H18N2O6/c1-20-11-4-3-8(5-12(11)21-2)13(17)16-22-9-6-10(14(18)19)15-7-9/h3-5,9-10,15H,6-7H2,1-2H3,(H,16,17)(H,18,19)/t9-,10+/m1/s1 | | Synonyms: | 3,4-dimethoxybenzamidoxy proline | | Definition date: | 2010-10-22 | | Last modified: | 2024-09-27 | | Identifier: | (4R)-4-{[(3,4-dimethoxybenzoyl)amino]oxy}-L-proline |
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 | | KBE | | Name: | beta-lysine | | Formula: | C6 H14 N2 O2 | | SMILES: | NCCC[CH](N)CC(O)=O | | InChi: | InChI=1S/C6H14N2O2/c7-3-1-2-5(8)4-6(9)10/h5H,1-4,7-8H2,(H,9,10)/t5-/m0/s1 | | Synonyms: | (3S)-3,6-diaminohexanoic acid | | Definition date: | 2010-02-05 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3,6-bis(azanyl)hexanoic acid |
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 | | IAR | | Name: | (2E)-5-[(diaminomethylidene)amino]-2-iminopentanoic acid | | Formula: | C6 H12 N4 O2 | | SMILES: | O=C(O)C(=[N@H])CCCNC(=[N@H])N | | InChi: | InChI=1S/C6H12N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h7H,1-3H2,(H,11,12)(H4,8,9,10)/b7-4+ | | Definition date: | 2010-07-20 | | Last modified: | 2024-09-27 | | Identifier: | (2E)-5-carbamimidamido-2-iminopentanoic acid |
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 | | B3M | | Name: | (3R)-3-amino-5-(methylsulfanyl)pentanoic acid | | Formula: | C6 H13 N O2 S | | SMILES: | O=C(O)CC(N)CCSC | | InChi: | InChI=1S/C6H13NO2S/c1-10-3-2-5(7)4-6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1 | | Definition date: | 2008-11-19 | | Last modified: | 2024-09-27 | | Identifier: | (3R)-3-amino-5-(methylsulfanyl)pentanoic acid |
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 | | L7S | | Name: | 3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide | | Formula: | C13 H14 N2 O3 | | SMILES: | O=C2N(C(=O)CC2c1cccc(C(=O)N)c1)CC | | InChi: | InChI=1S/C13H14N2O3/c1-2-15-11(16)7-10(13(15)18)8-4-3-5-9(6-8)12(14)17/h3-6,10H,2,7H2,1H3,(H2,14,17)/t10-/m1/s1 | | Definition date: | 2014-07-02 | | Last modified: | 2024-09-27 | | Release date: | 2015-03-04 | | Identifier: | 3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide |
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 | | ZKR | | Name: | [5-(trifluoromethyl)thiophen-2-yl]boronic acid | | Formula: | C5 H4 B F3 O2 S | | SMILES: | FC(F)(F)c1ccc(s1)B(O)O | | InChi: | InChI=1S/C5H4BF3O2S/c7-5(8,9)3-1-2-4(12-3)6(10)11/h1-2,10-11H | | Definition date: | 2023-06-28 | | Last modified: | 2024-09-27 | | Release date: | 2024-07-17 | | Identifier: | [5-(trifluoromethyl)thiophen-2-yl]boronic acid |
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 | | LLO | | Name: | N~6~-[(1S)-3-hydroxy-1,3-dimethylbutyl]-L-lysine | | Formula: | C12 H26 N2 O3 | | SMILES: | O=C(O)C(N)CCCCNC(CC(O)(C)C)C | | InChi: | InChI=1S/C12H26N2O3/c1-9(8-12(2,3)17)14-7-5-4-6-10(13)11(15)16/h9-10,14,17H,4-8,13H2,1-3H3,(H,15,16)/t9-,10-/m0/s1 | | Synonyms: | 4-Hydroxy-4-Methyl-2-Pentanone | | Definition date: | 2010-07-20 | | Last modified: | 2024-09-27 | | Identifier: | N~6~-[(2S)-4-hydroxy-4-methylpentan-2-yl]-L-lysine |
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 | | LN7 | | Name: | N~5~-[(1S)-1-aminopentyl]-L-ornithine | | Formula: | C10 H23 N3 O2 | | SMILES: | O=C(O)C(N)CCCNC(N)CCCC | | InChi: | InChI=1S/C10H23N3O2/c1-2-3-6-9(12)13-7-4-5-8(11)10(14)15/h8-9,13H,2-7,11-12H2,1H3,(H,14,15)/t8-,9-/m0/s1 | | Definition date: | 2010-10-20 | | Last modified: | 2024-09-27 | | Identifier: | N~5~-[(1S)-1-aminopentyl]-L-ornithine |
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 | | LA2 | | Name: | N~6~-[(6R)-6,8-disulfanyloctanoyl]-L-lysine | | Formula: | C14 H28 N2 O3 S2 | | SMILES: | O=C(O)C(N)CCCCNC(=O)CCCCC(S)CCS | | InChi: | InChI=1S/C14H28N2O3S2/c15-12(14(18)19)6-3-4-9-16-13(17)7-2-1-5-11(21)8-10-20/h11-12,20-21H,1-10,15H2,(H,16,17)(H,18,19)/t11-,12+/m1/s1 | | Synonyms: | lipoyllysine | | Definition date: | 2008-04-16 | | Last modified: | 2024-09-27 | | Identifier: | N~6~-[(6R)-6,8-disulfanyloctanoyl]-L-lysine |
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 | | SRM | | Name: | SIROHEME | | Formula: | C42 H44 Fe N4 O16 | | SMILES: | O=C(O)CCC=6C7=Cc1c(c(c2n1[Fe]84N5C(=CC3=C(CCC(=O)O)C(C(=C2)N34)(C)CC(=O)O)C(C(=C5C=C(C=6CC(=O)O)N78)CCC(=O)O)(C)CC(=O)O)CC(=O)O)CCC(=O)O | | InChi: | InChI=1S/C42H46N4O16.Fe/c1-41(17-39(59)60)23(5-9-35(51)52)29-14-27-21(11-37(55)56)19(3-7-33(47)48)25(43-27)13-26-20(4-8-34(49)50)22(12-38(57)58)28(44-26)15-31-42(2,18-40(61)62)24(6-10-36(53)54)30(46-31)16-32(41)45-29 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | {3,3',3'',3'''-[(8S,13S)-3,8,13,17-tetrakis(carboxymethyl)-8,13-dimethyl-8,13,22,24-tetrahydroporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~]tetrapropanoato(4-)}iron |
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 | | THZ | | Name: | 1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine | | Formula: | C13 H17 N5 O S | | SMILES: | O=C(c1nc2ccccc2s1)C(N)CCCNC(=[N@H])N | | InChi: | InChI=1S/C13H17N5OS/c14-8(4-3-7-17-13(15)16)11(19)12-18-9-5-1-2-6-10(9)20-12/h1-2,5-6,8H,3-4,7,14H2,(H4,15,16,17)/t8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | 1-[(4S)-4-amino-5-(1,3-benzothiazol-2-yl)-5-oxopentyl]guanidine |
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 | | VKC | | Name: | (2-hydroxyethoxy)acetic acid | | Formula: | C4 H8 O4 | | SMILES: | [O-]C(=O)COCCO | | InChi: | InChI=1S/C4H8O4/c5-1-2-8-3-4(6)7/h5H,1-3H2,(H,6,7)/p-1 | | Definition date: | 2013-10-29 | | Last modified: | 2024-09-27 | | Release date: | 2014-01-22 | | Identifier: | (2-hydroxyethoxy)acetate |
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 | | MK8 | | Name: | 2-methyl-L-norleucine | | Formula: | C7 H15 N O2 | | SMILES: | O=C(O)C(N)(CCCC)C | | InChi: | InChI=1S/C7H15NO2/c1-3-4-5-7(2,8)6(9)10/h3-5,8H2,1-2H3,(H,9,10)/t7-/m0/s1 | | Definition date: | 2010-04-16 | | Last modified: | 2024-09-27 | | Identifier: | 2-methyl-L-norleucine |
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