 | ZAI | Name: | (2~{S})-2-azanyl-6-[[(~{R})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-[[(2~{S})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]methyl]amino]hexanoic acid | Formula: | C17 H29 N4 O9 P S | SMILES: | Cc1ncc(CO[P](O)(O)=O)c([CH](NCCCC[CH](N)C(O)=O)N[CH](CS)C(O)=O)c1O | InChi: | InChI=1S/C17H29N4O9PS/c1-9-14(22)13(10(6-20-9)7-30-31(27,28)29)15(21-12(8-32)17(25)26)19-5-3-2-4-11(18)16(23)24/h6,11-12,15,19,21-22,32H,2-5,7-8,18H2,1H3,(H,23,24)(H,25,26)(H2,27,28,29)/t11-,12+,15+/m0/s1 | Definition date: | 2022-07-05 | Last modified: | 2024-09-27 | Release date: | 2023-07-05 | Identifier: | (2~{S})-2-azanyl-6-[[(~{R})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]-[[(2~{S})-1-oxidanyl-1-oxidanylidene-3-sulfanyl-propan-2-yl]amino]methyl]amino]hexanoic acid |
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 | QPB | Name: | methyl (~{Z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate | Formula: | C11 H12 O3 | SMILES: | COC(=O)C(C)=Cc1ccc(O)cc1 | InChi: | InChI=1S/C11H12O3/c1-8(11(13)14-2)7-9-3-5-10(12)6-4-9/h3-7,12H,1-2H3/b8-7- | Definition date: | 2020-07-16 | Last modified: | 2024-09-27 | Release date: | 2021-07-28 | Identifier: | methyl (~{Z})-3-(4-hydroxyphenyl)-2-methyl-prop-2-enoate |
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 | V32 | Name: | 4-morpholin-4-ylcarbonylbenzaldehyde | Formula: | C12 H13 N O3 | SMILES: | O=Cc1ccc(cc1)C(=O)N2CCOCC2 | InChi: | InChI=1S/C12H13NO3/c14-9-10-1-3-11(4-2-10)12(15)13-5-7-16-8-6-13/h1-4,9H,5-8H2 | Definition date: | 2021-04-08 | Last modified: | 2024-09-27 | Release date: | 2021-06-09 | Identifier: | 4-morpholin-4-ylcarbonylbenzaldehyde |
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 | ZAL | Name: | 3-cyclohexyl-D-alanine | Formula: | C9 H17 N O2 | SMILES: | O=C(O)C(N)CC1CCCCC1 | InChi: | InChI=1S/C9H17NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h7-8H,1-6,10H2,(H,11,12)/t8-/m1/s1 | Definition date: | 2009-01-26 | Last modified: | 2024-09-27 | Identifier: | 3-cyclohexyl-D-alanine |
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 | PVH | Name: | HISTIDINE-METHYL-ESTER | Formula: | C7 H12 N3 O2 | SMILES: | O=C(OC)C(N)Cc1cnc[nH+]1 | InChi: | InChI=1S/C7H11N3O2/c1-12-7(11)6(8)2-5-3-9-4-10-5/h3-4,6H,2,8H2,1H3,(H,9,10)/p+1/t6-/m0/s1 | Definition date: | 2001-04-02 | Last modified: | 2024-09-27 | Identifier: | methyl 3-(1H-imidazol-3-ium-4-yl)-L-alaninate |
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 | T3V | Name: | 1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one | Formula: | C12 H15 F N2 O3 S | SMILES: | N2(CCN(S(c1ccccc1F)(=O)=O)CC2)C(=O)C | InChi: | InChI=1S/C12H15FN2O3S/c1-10(16)14-6-8-15(9-7-14)19(17,18)12-5-3-2-4-11(12)13/h2-5H,6-9H2,1H3 | Definition date: | 2020-03-16 | Last modified: | 2024-09-27 | Release date: | 2020-03-25 | Identifier: | 1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one |
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 | NSU | Name: | N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine | Formula: | C13 H18 N4 O6 | SMILES: | OC(=O)CN(C1COCC1N)C(=O)CN1C=C(C)C(=O)NC1=O | InChi: | InChI=1S/C13H18N4O6/c1-7-2-16(13(22)15-12(7)21)3-10(18)17(4-11(19)20)9-6-23-5-8(9)14/h2,8-9H,3-6,14H2,1H3,(H,19,20)(H,15,21,22)/t8-,9-/m0/s1 | Definition date: | 2022-04-07 | Last modified: | 2024-09-27 | Release date: | 2023-04-05 | Identifier: | N-[(3R,4R)-4-aminooxolan-3-yl]-N-[(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)acetyl]glycine |
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 | V34 | Name: | ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate | Formula: | C27 H36 N4 O6 | SMILES: | CCOC(=O)[C@H]=[C@H]C(CC1CCNC1=O)NC(=O)C(CC(C)C)NC(=O)c3cc2c(OC)cccc2n3 | InChi: | InChI=1S/C27H36N4O6/c1-5-37-24(32)10-9-18(14-17-11-12-28-25(17)33)29-26(34)21(13-16(2)3)31-27(35)22-15-19-20(30-22)7-6-8-23(19)36-4/h6-10,15-18,21,30H,5,11-14H2,1-4H3,(H,28,33)(H,29,34)(H,31,35)/b10-9+/t17-,18+,21-/m0/s1 | Definition date: | 2020-06-19 | Last modified: | 2024-09-27 | Release date: | 2020-07-08 | Identifier: | ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate |
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 | UPD | Name: | 1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide | Formula: | C14 H19 N3 O3 | SMILES: | N(c1cnc(cc1)OC)C(C2CCN(C(C)=O)CC2)=O | InChi: | InChI=1S/C14H19N3O3/c1-10(18)17-7-5-11(6-8-17)14(19)16-12-3-4-13(20-2)15-9-12/h3-4,9,11H,5-8H2,1-2H3,(H,16,19) | Definition date: | 2020-05-26 | Last modified: | 2024-09-27 | Release date: | 2020-06-10 | Identifier: | 1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide |
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 | LE1 | Name: | 3-sulfanyl-L-valine | Formula: | C5 H11 N O2 S | SMILES: | O=C(O)C(N)C(S)(C)C | InChi: | InChI=1S/C5H11NO2S/c1-5(2,9)3(6)4(7)8/h3,9H,6H2,1-2H3,(H,7,8)/t3-/m1/s1 | Synonyms: | L-LE1ICILLAMINE | Definition date: | 2009-05-15 | Last modified: | 2024-09-27 | Identifier: | 3-sulfanyl-L-valine |
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 | PVI | Name: | (4R,5R)-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid | Formula: | C7 H11 N O4 | SMILES: | N[CH]1C=C(C[CH](O)[CH]1O)C(O)=O | InChi: | InChI=1S/C7H11NO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,9-10H,2,8H2,(H,11,12)/t4-,5+,6+/m0/s1 | Synonyms: | (4~{R},5~{R})-3-amino-4,5-dihydroxy-cyclohexene-1-carboxylic acid | Definition date: | 2022-10-04 | Last modified: | 2024-09-27 | Release date: | 2023-02-15 | Identifier: | (4~{R},5~{R})-3-azanyl-4,5-bis(oxidanyl)cyclohexene-1-carboxylic acid |
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 | XL3 | Name: | propane-1-thiol | Formula: | C3 H8 S | SMILES: | SCCC | InChi: | InChI=1S/C3H8S/c1-2-3-4/h4H,2-3H2,1H3 | Definition date: | 2007-12-20 | Last modified: | 2024-09-27 | Identifier: | propane-1-thiol |
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 | YDB | Name: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid | Formula: | C9 H12 B N7 O5 S2 | SMILES: | O=C(CSc1nnc(N)s1)NC(Cn1cc(nn1)C(=O)O)B(O)O | InChi: | InChI=1S/C9H12BN7O5S2/c11-8-14-15-9(24-8)23-3-6(18)12-5(10(21)22)2-17-1-4(7(19)20)13-16-17/h1,5,21-22H,2-3H2,(H2,11,14)(H,12,18)(H,19,20)/t5-/m0/s1 | Definition date: | 2023-01-25 | Last modified: | 2024-09-27 | Release date: | 2023-07-05 | Identifier: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid |
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 | ZT6 | Name: | (betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-L-tyrosine | Formula: | C18 H30 Cl N O4 Si | SMILES: | Oc1ccc(cc1Cl)C(O[Si](C(C)C)(C(C)C)C(C)C)C(N)C(=O)O | InChi: | InChI=1S/C18H30ClNO4Si/c1-10(2)25(11(3)4,12(5)6)24-17(16(20)18(22)23)13-7-8-15(21)14(19)9-13/h7-12,16-17,21H,20H2,1-6H3,(H,22,23)/t16-,17+/m0/s1 | Definition date: | 2023-03-30 | Last modified: | 2024-09-27 | Release date: | 2023-06-21 | Identifier: | (betaR)-3-chloro-beta-{[tri(propan-2-yl)silyl]oxy}-L-tyrosine |
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 | V35 | Name: | D-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | Formula: | C10 H14 B Cl N O4 | SMILES: | Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)O | InChi: | InChI=1S/C10H14BClNO4/c1-7(14)13-10(11(15,16)17)6-8-2-4-9(12)5-3-8/h2-5,10,15-17H,6H2,1H3,(H,13,14)/q-1/t10-/m1/s1 | Synonyms: | D-PARA-CHLORO-1-ACETAMIDO BORONIC ACID | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | [(1S)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](trihydroxy)borate(1-) |
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 | LE2 | Name: | N-(2-phenylethyl)thioformamide | Formula: | C9 H11 N S | SMILES: | S=CNCCc1ccccc1 | InChi: | InChI=1S/C9H11NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,11) | Synonyms: | Phenylethyl isothiocyanate, bound form | Definition date: | 2011-07-08 | Last modified: | 2024-09-27 | Identifier: | N-(2-phenylethyl)thioformamide |
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 | QPE | Name: | methyl (~{Z})-2-methyl-3-phenyl-prop-2-enoate | Formula: | C11 H12 O2 | SMILES: | COC(=O)C(C)=Cc1ccccc1 | InChi: | InChI=1S/C11H12O2/c1-9(11(12)13-2)8-10-6-4-3-5-7-10/h3-8H,1-2H3/b9-8- | Definition date: | 2020-07-16 | Last modified: | 2024-09-27 | Release date: | 2021-07-28 | Identifier: | methyl (~{Z})-2-methyl-3-phenyl-prop-2-enoate |
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 | V36 | Name: | L-1-(4-CHLOROPHENYL)-2-(ACETAMIDO)ETHANE BORONIC ACID | Formula: | C10 H14 B Cl N O4 | SMILES: | Clc1ccc(cc1)CC(NC(=O)C)[B-](O)(O)O | InChi: | InChI=1S/C10H14BClNO4/c1-7(14)13-10(11(15,16)17)6-8-2-4-9(12)5-3-8/h2-5,10,15-17H,6H2,1H3,(H,13,14)/q-1/t10-/m0/s1 | Synonyms: | L-PARA-CHLORO-1-ACETAMIDO BORONIC ACID | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | [(1R)-1-(acetylamino)-2-(4-chlorophenyl)ethyl](trihydroxy)borate(1-) |
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 | ZAP | Name: | [N-(BENZYLOXYCARBONYL)AMINO](4-AMIDINOPHENYL)METHANE-PHOSPHONATE | Formula: | C16 H18 N3 O5 P | SMILES: | O=P(O)(O)C(c1ccc(C(=[N@H])N)cc1)NC(=O)OCc2ccccc2 | InChi: | InChI=1S/C16H18N3O5P/c17-14(18)12-6-8-13(9-7-12)15(25(21,22)23)19-16(20)24-10-11-4-2-1-3-5-11/h1-9,15H,10H2,(H3,17,18)(H,19,20)(H2,21,22,23)/t15-/m1/s1 | Synonyms: | Z-AMIDINOPHENYLMETHANE-PHOSPHONATE | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | [(R)-{[(benzyloxy)carbonyl]amino}(4-carbamimidoylphenyl)methyl]phosphonic acid |
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 | LE3 | Name: | N-{4-[(R)-methylsulfinyl]butyl}thioformamide | Formula: | C6 H13 N O S2 | SMILES: | O=S(CCCCNC=S)C | InChi: | InChI=1S/C6H13NOS2/c1-10(8)5-3-2-4-7-6-9/h6H,2-5H2,1H3,(H,7,9)/t10-/m1/s1 | Synonyms: | L-Sulforaphane, bound form | Definition date: | 2011-07-08 | Last modified: | 2024-09-27 | Release date: | 2012-09-28 | Identifier: | N-{4-[(R)-methylsulfinyl]butyl}thioformamide |
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 | XL5 | Name: | N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide | Formula: | C22 H21 Cl2 F N4 O4 | SMILES: | c1(c(c(c(Cl)c(OC)c1)COc3cnc(Nc2c(cccc2NC(CC)=O)F)nc3)Cl)OC | InChi: | InChI=1S/C22H21Cl2FN4O4/c1-4-18(30)28-15-7-5-6-14(25)21(15)29-22-26-9-12(10-27-22)33-11-13-19(23)16(31-2)8-17(32-3)20(13)24/h5-10H,4,11H2,1-3H3,(H,28,30)(H,26,27,29) | Definition date: | 2017-11-05 | Last modified: | 2024-09-27 | Release date: | 2019-07-10 | Identifier: | N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-fluorophenyl]propanamide |
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 | XL6 | Name: | N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide | Formula: | C23 H24 Cl2 N4 O4 | SMILES: | c1(OC)c(Cl)c(c(c(c1)OC)Cl)COc2cnc(nc2)Nc3c(NC(CC)=O)cccc3C | InChi: | InChI=1S/C23H24Cl2N4O4/c1-5-19(30)28-16-8-6-7-13(2)22(16)29-23-26-10-14(11-27-23)33-12-15-20(24)17(31-3)9-18(32-4)21(15)25/h6-11H,5,12H2,1-4H3,(H,28,30)(H,26,27,29) | Definition date: | 2017-10-28 | Last modified: | 2024-09-27 | Release date: | 2019-07-10 | Identifier: | N-[2-({5-[(2,6-dichloro-3,5-dimethoxyphenyl)methoxy]pyrimidin-2-yl}amino)-3-methylphenyl]propanamide |
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 | QPH | Name: | N-formyl-L-phenylalanine | Formula: | C10 H11 N O3 | SMILES: | O=C(O)C(NC=O)Cc1ccccc1 | InChi: | InChI=1S/C10H11NO3/c12-7-11-9(10(13)14)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,11,12)(H,13,14)/t9-/m0/s1 | Definition date: | 2011-04-28 | Last modified: | 2024-09-27 | Identifier: | N-formyl-L-phenylalanine |
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 | RVW | Name: | (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol | Formula: | C6 H12 O5 S | SMILES: | OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3-,4+,5-,6-/m0/s1 | Synonyms: | thioglucose | Definition date: | 2020-10-25 | Last modified: | 2024-09-27 | Release date: | 2020-12-02 | Identifier: | (2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol |
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 | UPG | Name: | URIDINE-5'-DIPHOSPHATE-GLUCOSE | Formula: | C15 H24 N2 O17 P2 | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O | InChi: | InChI=1S/C15H24N2O17P2/c18-3-5-8(20)10(22)12(24)14(32-5)33-36(28,29)34-35(26,27)30-4-6-9(21)11(23)13(31-6)17-2-1-7(19)16-15(17)25/h1-2,5-6,8-14,18,20-24H,3-4H2,(H,26,27)(H,28,29)(H,16,19,25)/t5-,6-,8-,9-,10+,11-,12-,13-,14-/m1/s1 | Synonyms: | URIDINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER | Definition date: | 1999-07-08 | Last modified: | 2024-09-27 | Identifier: | [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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