 | N1L | Name: | 2-amino-2-deoxy-beta-D-glucopyranuronic acid | Formula: | C6 H11 N O6 | SMILES: | O=C(O)C1OC(O)C(N)C(O)C1O | InChi: | InChI=1S/C6H11NO6/c7-1-2(8)3(9)4(5(10)11)13-6(1)12/h1-4,6,8-9,12H,7H2,(H,10,11)/t1-,2-,3+,4+,6-/m1/s1 | Synonyms: | 2-amino-2-deoxy-beta-D-glucuronic acid | Definition date: | 2008-03-11 | Last modified: | 2024-09-27 | Identifier: | 2-amino-2-deoxy-beta-D-glucopyranuronic acid |
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 | MLZ | Name: | N-METHYL-LYSINE | Formula: | C7 H16 N2 O2 | SMILES: | O=C(O)C(N)CCCCNC | InChi: | InChI=1S/C7H16N2O2/c1-9-5-3-2-4-6(8)7(10)11/h6,9H,2-5,8H2,1H3,(H,10,11)/t6-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | N~6~-methyl-L-lysine |
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 | TYI | Name: | 3,5-DIIODOTYROSINE | Formula: | C9 H9 I2 N O3 | SMILES: | Ic1cc(cc(I)c1O)CC(C(=O)O)N | InChi: | InChI=1S/C9H9I2NO3/c10-5-1-4(2-6(11)8(5)13)3-7(12)9(14)15/h1-2,7,13H,3,12H2,(H,14,15)/t7-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | 3,5-diiodo-L-tyrosine |
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 | LSO | Name: | (Z)-N~6~-(3-CARBOXY-1-{[(4-CARBOXY-2-OXOBUTYL)SULFONYL]METHYL}PROPYLIDENE)-L-LYSINE | Formula: | C16 H26 N2 O9 S | SMILES: | O=S(=O)(C/C(=N/CCCCC(C(=O)O)N)CCC(=O)O)CC(=O)CCC(=O)O | InChi: | InChI=1S/C16H26N2O9S/c17-13(16(24)25)3-1-2-8-18-11(4-6-14(20)21)9-28(26,27)10-12(19)5-7-15(22)23/h13H,1-10,17H2,(H,20,21)(H,22,23)(H,24,25)/b18-11+/t13-/m0/s1 | Synonyms: | 2-AMINO-6-[3-CARBOXY-2-OXO-BUTANE-1-SULFONYLMETHYL-PROPYLIDENEAMINO]-HEXANOIC ACID | Definition date: | 2005-09-11 | Last modified: | 2024-09-27 | Identifier: | (E)-N~6~-(3-carboxy-1-{[(4-carboxy-2-oxobutyl)sulfonyl]methyl}propylidene)-L-lysine |
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 | TYJ | Name: | 2,5-dihydroxy-N-methyl-L-tyrosine | Formula: | C10 H13 N O5 | SMILES: | O=C(O)C(NC)Cc1c(O)cc(O)c(O)c1 | InChi: | InChI=1S/C10H13NO5/c1-11-6(10(15)16)2-5-3-8(13)9(14)4-7(5)12/h3-4,6,11-14H,2H2,1H3,(H,15,16)/t6-/m0/s1 | Definition date: | 2011-02-09 | Last modified: | 2024-09-27 | Identifier: | 2,5-dihydroxy-N-methyl-L-tyrosine |
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 | SQW | Name: | propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate | Formula: | C15 H17 N O3 | SMILES: | CC(C)OC(=O)CCC(=O)n1ccc2ccccc12 | InChi: | InChI=1S/C15H17NO3/c1-11(2)19-15(18)8-7-14(17)16-10-9-12-5-3-4-6-13(12)16/h3-6,9-11H,7-8H2,1-2H3 | Definition date: | 2020-11-30 | Last modified: | 2024-09-27 | Release date: | 2021-08-04 | Identifier: | propan-2-yl 4-indol-1-yl-4-oxidanylidene-butanoate |
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 | WEL | Name: | (1S,2S)-2-{[N-({2-[(1H-benzimidazol-2-yl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | Formula: | C25 H37 N5 O8 S2 | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)Sc1nc2ccccc2[NH]1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C25H37N5O8S2/c1-14(2)11-18(21(32)27-19(22(33)40(35,36)37)12-15-9-10-26-20(15)31)30-24(34)38-13-25(3,4)39-23-28-16-7-5-6-8-17(16)29-23/h5-8,14-15,18-19,22,33H,9-13H2,1-4H3,(H,26,31)(H,27,32)(H,28,29)(H,30,34)(H,35,36,37)/t15-,18-,19-,22-/m0/s1 | Definition date: | 2022-09-05 | Last modified: | 2024-09-27 | Release date: | 2022-09-14 | Identifier: | (1S,2S)-2-{[N-({2-[(1H-benzimidazol-2-yl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | LSR | Name: | 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene | Formula: | C15 H24 | SMILES: | C(/C1=C(CCCC1(C)C)C)=CC(=CC)C | InChi: | InChI=1S/C15H24/c1-6-12(2)9-10-14-13(3)8-7-11-15(14,4)5/h6,9-10H,7-8,11H2,1-5H3/b10-9+,12-6+ | Definition date: | 2008-04-17 | Last modified: | 2024-09-27 | Identifier: | 1,3,3-trimethyl-2-[(1E,3E)-3-methylpenta-1,3-dien-1-yl]cyclohexene |
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 | N1R | Name: | 2-chloranyl-N-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide | Formula: | C20 H28 Cl2 N2 O3 | SMILES: | CC(C)(Oc1ccc(Cl)cc1)C(=O)N2CCC(CCCNC(=O)CCl)CC2 | InChi: | InChI=1S/C20H28Cl2N2O3/c1-20(2,27-17-7-5-16(22)6-8-17)19(26)24-12-9-15(10-13-24)4-3-11-23-18(25)14-21/h5-8,15H,3-4,9-14H2,1-2H3,(H,23,25) | Definition date: | 2022-08-11 | Last modified: | 2024-09-27 | Release date: | 2023-09-20 | Identifier: | 2-chloranyl-~{N}-[3-[1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]piperidin-4-yl]propyl]ethanamide |
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 | OOL | Name: | (E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine | Formula: | C7 H9 N3 O2 | SMILES: | N=Cc1nc(OC)cc(OC)n1 | InChi: | InChI=1S/C7H9N3O2/c1-11-6-3-7(12-2)10-5(4-8)9-6/h3-4,8H,1-2H3/b8-4+ | Definition date: | 2023-08-17 | Last modified: | 2024-09-27 | Release date: | 2023-11-08 | Identifier: | (E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine |
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 | TYN | Name: | AMINOBENZOFURAZAN-O-TYROSINE | Formula: | C15 H16 N4 O4 | SMILES: | O=C(O)C(N)Cc3ccc(Oc2ccc(c1NONc12)N)cc3 | InChi: | InChI=1S/C15H16N4O4/c16-10-5-6-12(14-13(10)18-23-19-14)22-9-3-1-8(2-4-9)7-11(17)15(20)21/h1-6,11,18-19H,7,16-17H2,(H,20,21)/t11-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | O-(7-amino-1,3-dihydro-2,1,3-benzoxadiazol-4-yl)-L-tyrosine |
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 | WSR | Name: | (1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name) | Formula: | C25 H41 F O5 S | SMILES: | FCC(=O)CCC(C)C1CCC2C3CCC4CC(CCC4(C)C3CCC12C)OS(=O)(=O)O | InChi: | InChI=1S/C25H41FO5S/c1-16(4-6-18(27)15-26)21-8-9-22-20-7-5-17-14-19(31-32(28,29)30)10-12-24(17,2)23(20)11-13-25(21,22)3/h16-17,19-23H,4-15H2,1-3H3,(H,28,29,30)/t16-,17-,19-,20+,21-,22+,23+,24+,25-/m1/s1 | Definition date: | 2022-10-17 | Last modified: | 2024-09-27 | Release date: | 2023-11-01 | Identifier: | (1R,3aS,3bR,5aR,7R,9aS,9bS,11aR)-1-[(2R)-6-fluoro-5-oxohexan-2-yl]-9a,11a-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-7-yl hydrogen sulfate (non-preferred name) |
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 | PH6 | Name: | (4S)-4-cyclohexyl-L-proline | Formula: | C11 H19 N O2 | SMILES: | O=C(O)C2NCC(C1CCCCC1)C2 | InChi: | InChI=1S/C11H19NO2/c13-11(14)10-6-9(7-12-10)8-4-2-1-3-5-8/h8-10,12H,1-7H2,(H,13,14)/t9-,10+/m1/s1 | Definition date: | 2015-02-06 | Last modified: | 2024-09-27 | Release date: | 2015-06-03 | Identifier: | (4S)-4-cyclohexyl-L-proline |
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 | TYO | Name: | (4Z,6E)-2-AMINO-7-HYDROPEROXY-4-[(E)-2-HYDROXYVINYL]HEPTA-4,6-DIENOIC ACID | Formula: | C9 H13 N O5 | SMILES: | O=C(O)C(N)CC(C=CO)=CC=COO | InChi: | InChI=1S/C9H13NO5/c10-8(9(12)13)6-7(3-4-11)2-1-5-15-14/h1-5,8,11,14H,6,10H2,(H,12,13)/b4-3?,5-1+,7-2+/t8-/m0/s1 | Definition date: | 2006-09-22 | Last modified: | 2024-09-27 | Identifier: | (2S,4Z,6E)-2-amino-7-hydroperoxy-4-[(E)-2-hydroxyethenyl]hepta-4,6-dienoic acid |
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 | N1U | Name: | (3S)-5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one | Formula: | C18 H18 Br N O4 | SMILES: | COc1ccc(cc1OC)CN1c2c(C)cc(Br)cc2C(O)C1=O | InChi: | InChI=1S/C18H18BrNO4/c1-10-6-12(19)8-13-16(10)20(18(22)17(13)21)9-11-4-5-14(23-2)15(7-11)24-3/h4-8,17,21H,9H2,1-3H3/t17-/m0/s1 | Definition date: | 2023-08-16 | Last modified: | 2024-09-27 | Release date: | 2023-11-08 | Identifier: | (3S)-5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one |
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 | P4E | Name: | (2S,4E)-2-amino-5-phenylpent-4-enoic acid | Formula: | C11 H13 N O2 | SMILES: | O=C(O)C(N)C/C=C/c1ccccc1 | InChi: | InChI=1S/C11H13NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-7,10H,8,12H2,(H,13,14)/b7-4+/t10-/m0/s1 | Definition date: | 2011-10-13 | Last modified: | 2024-09-27 | Identifier: | (2S,4E)-2-amino-5-phenylpent-4-enoic acid |
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 | WEQ | Name: | (1~{R},2~{S})-2-[[(2~{S})-2-[[2-(1~{H}-benzimidazol-2-ylsulfanyl)-2-methyl-propoxy]carbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid;molecular oxygen | Formula: | C25 H37 N5 O8 S2 | SMILES: | CC(C)CC(NC(=O)OCC(C)(C)Sc1nc2ccccc2[NH]1)C(=O)NC(CC1CCNC1=O)C(O)S(=O)(=O)O | InChi: | InChI=1S/C25H37N5O8S2/c1-14(2)11-18(21(32)27-19(22(33)40(35,36)37)12-15-9-10-26-20(15)31)30-24(34)38-13-25(3,4)39-23-28-16-7-5-6-8-17(16)29-23/h5-8,14-15,18-19,22,33H,9-13H2,1-4H3,(H,26,31)(H,27,32)(H,28,29)(H,30,34)(H,35,36,37)/t15-,18-,19-,22+/m0/s1 | Definition date: | 2022-09-05 | Last modified: | 2024-09-27 | Release date: | 2022-09-14 | Identifier: | (1R,2S)-2-{[N-({2-[(1H-benzimidazol-2-yl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid |
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 | TYQ | Name: | 3-AMINO-6-HYDROXY-TYROSINE | Formula: | C9 H12 N2 O4 | SMILES: | O=C(O)C(N)Cc1c(O)cc(O)c(N)c1 | InChi: | InChI=1S/C9H12N2O4/c10-5-1-4(2-6(11)9(14)15)7(12)3-8(5)13/h1,3,6,12-13H,2,10-11H2,(H,14,15)/t6-/m0/s1 | Definition date: | 1999-08-26 | Last modified: | 2024-09-27 | Identifier: | 3-amino-6-hydroxy-L-tyrosine |
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 | PH8 | Name: | 5-phenyl-L-norvaline | Formula: | C11 H15 N O2 | SMILES: | C(O)(=O)C(N)CCCc1ccccc1 | InChi: | InChI=1S/C11H15NO2/c12-10(11(13)14)8-4-7-9-5-2-1-3-6-9/h1-3,5-6,10H,4,7-8,12H2,(H,13,14)/t10-/m0/s1 | Definition date: | 2015-03-10 | Last modified: | 2024-09-27 | Release date: | 2015-04-15 | Identifier: | 5-phenyl-L-norvaline |
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 | N1W | Name: | (2~{R})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid | Formula: | C30 H41 N7 O7 | SMILES: | CC(C)[CH](NC(=O)[CH](NC(=O)N[CH](Cc1ccc(O)cc1)C(O)=O)[CH]2CCN=C(N)N2)C(=O)N[CH](CO)Cc3ccccc3 | InChi: | InChI=1S/C30H41N7O7/c1-17(2)24(26(40)33-20(16-38)14-18-6-4-3-5-7-18)36-27(41)25(22-12-13-32-29(31)34-22)37-30(44)35-23(28(42)43)15-19-8-10-21(39)11-9-19/h3-11,17,20,22-25,38-39H,12-16H2,1-2H3,(H,33,40)(H,36,41)(H,42,43)(H3,31,32,34)(H2,35,37,44)/t20-,22-,23+,24-,25-/m0/s1 | Definition date: | 2019-11-06 | Last modified: | 2024-09-27 | Release date: | 2019-12-04 | Identifier: | (2~{R})-2-[[(1~{S})-1-[(6~{S})-2-azanyl-1,4,5,6-tetrahydropyrimidin-6-yl]-2-[[(2~{S})-3-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanyl-3-phenyl-propan-2-yl]amino]butan-2-yl]amino]-2-oxidanylidene-ethyl]carbamoylamino]-3-(4-hydroxyphenyl)propanoic acid |
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 | SR2 | Name: | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide | Formula: | C20 H20 Br N5 O | SMILES: | Brc1cccc(c1)Nc3ncnc2c3cc(cc2)NC(=O)/C=C/CN(C)C | InChi: | InChI=1S/C20H20BrN5O/c1-26(2)10-4-7-19(27)24-16-8-9-18-17(12-16)20(23-13-22-18)25-15-6-3-5-14(21)11-15/h3-9,11-13H,10H2,1-2H3,(H,24,27)(H,22,23,25)/b7-4+ | Definition date: | 2007-08-06 | Last modified: | 2024-09-27 | Identifier: | (2E)-N-{4-[(3-bromophenyl)amino]quinazolin-6-yl}-4-(dimethylamino)but-2-enamide |
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 | TYR | Name: | TYROSINE | Formula: | C9 H11 N O3 | SMILES: | O=C(O)C(N)Cc1ccc(O)cc1 | InChi: | InChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | L-tyrosine |
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 | TYS | Name: | O-SULFO-L-TYROSINE | Formula: | C9 H11 N O6 S | SMILES: | O=C(O)C(N)Cc1ccc(OS(=O)(=O)O)cc1 | InChi: | InChI=1S/C9H11NO6S/c10-8(9(11)12)5-6-1-3-7(4-2-6)16-17(13,14)15/h1-4,8H,5,10H2,(H,11,12)(H,13,14,15)/t8-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | O-sulfo-L-tyrosine |
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 | SR3 | Name: | (2S,3R)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanoic acid | Formula: | C10 H16 N2 O8 S | SMILES: | O=C(O)C(NC=CC=O)C(C(=O)OCC(=O)N)(C)S(O)O | InChi: | InChI=1S/C10H16N2O8S/c1-10(21(18)19,9(17)20-5-6(11)14)7(8(15)16)12-3-2-4-13/h2-4,7,12,18-19,21H,5H2,1H3,(H2,11,14)(H,15,16)/b3-2+/t7-,10+/m0/s1 | Definition date: | 2011-05-12 | Last modified: | 2024-09-27 | Identifier: | (2S,3R)-4-(2-amino-2-oxoethoxy)-3-(dihydroxy-lambda~4~-sulfanyl)-3-methyl-4-oxo-2-{[(1E)-3-oxoprop-1-en-1-yl]amino}butanoic acid (non-preferred name) |
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 | PHA | Name: | PHENYLALANINAL | Formula: | C9 H11 N O | SMILES: | O=CC(N)Cc1ccccc1 | InChi: | InChI=1S/C9H11NO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-5,7,9H,6,10H2/t9-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | (2S)-2-amino-3-phenylpropanal |
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