 | | OIC | | Name: | OCTAHYDROINDOLE-2-CARBOXYLIC ACID | | Formula: | C9 H15 N O2 | | SMILES: | O=C(O)C1NC2CCCCC2C1 | | InChi: | InChI=1S/C9H15NO2/c11-9(12)8-5-6-3-1-2-4-7(6)10-8/h6-8,10H,1-5H2,(H,11,12)/t6-,7-,8-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (2S,3aS,7aS)-octahydro-1H-indole-2-carboxylic acid |
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 | | N9X | | Name: | Ertapenem | | Formula: | C22 H27 N3 O7 S | | SMILES: | C[CH](O)[CH](C=O)[CH]1N=C([CH](S[CH]2CN[CH](C2)C(=O)Nc3ccc(cc3)C(O)=O)[CH]1C)C(O)=O | | InChi: | InChI=1S/C22H27N3O7S/c1-10-17(15(9-26)11(2)27)25-18(22(31)32)19(10)33-14-7-16(23-8-14)20(28)24-13-5-3-12(4-6-13)21(29)30/h3-6,9-11,14-17,19,23,27H,7-8H2,1-2H3,(H,24,28)(H,29,30)(H,31,32)/t10-,11-,14+,15-,16-,17-,19-/m1/s1 | | Synonyms: | (3~{R},4~{R},5~{S})-3-[(3~{S},5~{R})-5-[(4-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]pyrrolidine-2-carboxylic acid | | Definition date: | 2022-08-16 | | Last modified: | 2024-09-27 | | Release date: | 2023-03-08 | | Identifier: | (2~{S},3~{R},4~{R})-4-[(3~{S},5~{R})-5-[(4-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-3-methyl-2-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-5-carboxylic acid |
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 | | O3O | | Name: | 2-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide | | Formula: | C21 H30 Cl2 N4 O2 | | SMILES: | ClCC(=O)NCCC1CCN(CC1)C(=O)C2(CCNCC2)Nc3ccc(Cl)cc3 | | InChi: | InChI=1S/C21H30Cl2N4O2/c22-15-19(28)25-10-5-16-6-13-27(14-7-16)20(29)21(8-11-24-12-9-21)26-18-3-1-17(23)2-4-18/h1-4,16,24,26H,5-15H2,(H,25,28) | | Definition date: | 2022-08-26 | | Last modified: | 2024-09-27 | | Release date: | 2023-09-20 | | Identifier: | 2-chloranyl-~{N}-[2-[1-[4-[(4-chlorophenyl)amino]piperidin-4-yl]carbonylpiperidin-4-yl]ethyl]ethanamide |
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 | | SKG | | Name: | 4-methylisoleucine | | Formula: | C7 H15 N O2 | | SMILES: | CC(C)[CH](C)[CH](N)C(O)=O | | InChi: | InChI=1S/C7H15NO2/c1-4(2)5(3)6(8)7(9)10/h4-6H,8H2,1-3H3,(H,9,10)/t5-,6-/m0/s1 | | Synonyms: | 2~{S},3~{S})-2-azanyl-3,4-dimethyl-pentanoic acid | | Definition date: | 2020-03-10 | | Last modified: | 2024-09-27 | | Release date: | 2020-05-20 | | Identifier: | (2~{S},3~{S})-2-azanyl-3,4-dimethyl-pentanoic acid |
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 | | OXP | | Name: | 2-OXO-3-PENTENOIC ACID | | Formula: | C5 H6 O3 | | SMILES: | O=C(C=C/C)C(=O)O | | InChi: | InChI=1S/C5H6O3/c1-2-3-4(6)5(7)8/h2-3H,1H3,(H,7,8)/b3-2- | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | (3Z)-2-oxopent-3-enoic acid |
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 | | BJU | | Name: | N-tetradecanoylglycine | | Formula: | C16 H31 N O3 | | SMILES: | C(CCCC(=O)NCC(O)=O)CCCCCCCCC | | InChi: | InChI=1S/C16H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-15(18)17-14-16(19)20/h2-14H2,1H3,(H,17,18)(H,19,20) | | Definition date: | 2019-02-07 | | Last modified: | 2024-09-27 | | Release date: | 2024-03-27 | | Identifier: | N-tetradecanoylglycine |
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 | | MH6 | | Name: | 3-hydroxy-2-iminopropanoic acid | | Formula: | C3 H5 N O3 | | SMILES: | O=C(O)C(=[N@H])CO | | InChi: | InChI=1S/C3H5NO3/c4-2(1-5)3(6)7/h4-5H,1H2,(H,6,7)/b4-2+ | | Definition date: | 2008-03-11 | | Last modified: | 2024-09-27 | | Identifier: | (2E)-3-hydroxy-2-iminopropanoic acid |
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 | | SKH | | Name: | (3~{S})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid | | Formula: | C12 H22 N2 O6 | | SMILES: | C[C](O)(CC(O)=O)CC(=O)NCCCC[CH](N)C(O)=O | | InChi: | InChI=1S/C12H22N2O6/c1-12(20,7-10(16)17)6-9(15)14-5-3-2-4-8(13)11(18)19/h8,20H,2-7,13H2,1H3,(H,14,15)(H,16,17)(H,18,19)/t8-,12-/m0/s1 | | Definition date: | 2017-07-22 | | Last modified: | 2024-09-27 | | Release date: | 2017-11-29 | | Identifier: | (3~{S})-5-[[(5~{S})-5-azanyl-6-oxidanyl-6-oxidanylidene-hexyl]amino]-3-methyl-3-oxidanyl-5-oxidanylidene-pentanoic acid |
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 | | QYX | | Name: | 2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylsulfanylpropanimidoyl)-5-oxidanylidene-imidazol-1-ium-1-yl]ethanoic acid | | Formula: | C16 H18 N3 O4 S | | SMILES: | CSCCC(=N)C1=[N+](CC(O)=O)C(=O)C(=N1)Cc2ccc(O)cc2 | | InChi: | InChI=1S/C16H17N3O4S/c1-24-7-6-12(17)15-18-13(16(23)19(15)9-14(21)22)8-10-2-4-11(20)5-3-10/h2-5,17H,6-9H2,1H3,(H-,20,21,22)/p+1/b17-12- | | Synonyms: | CHROMOPHORE (MET-TYR-GLY) | | Definition date: | 2022-11-18 | | Last modified: | 2024-09-27 | | Release date: | 2023-02-15 | | Identifier: | 2-[4-[(4-hydroxyphenyl)methyl]-2-(3-methylsulfanylpropanimidoyl)-5-oxidanylidene-imidazol-1-ium-1-yl]ethanoic acid |
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 | | AR6 | | Name: | [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL
[HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Formula: | C15 H23 N5 O14 P2 | | SMILES: | O=P(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)(O)OP(=O)(O)OCC4OC(O)C(O)C4O | | InChi: | InChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15+/m1/s1 | | Synonyms: | Adenosine-5-Diphosphoribose | | Definition date: | 2009-08-10 | | Last modified: | 2024-09-27 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3S,4R,5S)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | S5Y | | Name: | 2-(2-ethoxyethoxy)ethanethiol | | Formula: | C6 H14 O2 S | | SMILES: | CCOCCOCCS | | InChi: | InChI=1S/C6H14O2S/c1-2-7-3-4-8-5-6-9/h9H,2-6H2,1H3 | | Definition date: | 2020-03-04 | | Last modified: | 2024-09-27 | | Release date: | 2020-09-23 | | Identifier: | 2-(2-ethoxyethoxy)ethanethiol |
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 | | SKJ | | Name: | beta-methylnorleucine | | Formula: | C7 H15 N O2 | | SMILES: | CCC[CH](C)[CH](N)C(O)=O | | InChi: | InChI=1S/C7H15NO2/c1-3-4-5(2)6(8)7(9)10/h5-6H,3-4,8H2,1-2H3,(H,9,10)/t5-,6+/m1/s1 | | Synonyms: | (2~{S},3~{R})-2-azanyl-3-methyl-hexanoic acid | | Definition date: | 2020-03-10 | | Last modified: | 2024-09-27 | | Release date: | 2020-05-20 | | Identifier: | (2~{S},3~{R})-2-azanyl-3-methyl-hexanoic acid |
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 | | O3S | | Name: | N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide | | Formula: | C17 H24 N4 O | | SMILES: | CCC(=O)Nc1cc(ccc1)c2c(cnc2)CN(C)CCN | | InChi: | InChI=1S/C17H24N4O/c1-3-17(22)20-15-6-4-5-13(9-15)16-11-19-10-14(16)12-21(2)8-7-18/h4-6,9-11,19H,3,7-8,12,18H2,1-2H3,(H,20,22) | | Definition date: | 2019-06-06 | | Last modified: | 2024-09-27 | | Release date: | 2019-06-26 | | Identifier: | N-[3-(4-{[(2-aminoethyl)(methyl)amino]methyl}-1H-pyrrol-3-yl)phenyl]propanamide |
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 | | AR7 | | Name: | amino{[(4S)-4-amino-5,5-dihydroxypentyl]amino}methaniminium | | Formula: | C6 H17 N4 O2 | | SMILES: | OC(O)C(N)CCCNC(=[NH2+])N | | InChi: | InChI=1S/C6H16N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4-5,11-12H,1-3,7H2,(H4,8,9,10)/p+1/t4-/m0/s1 | | Definition date: | 2010-09-24 | | Last modified: | 2024-09-27 | | Identifier: | amino{[(4S)-4-amino-5,5-dihydroxypentyl]amino}methaniminium |
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 | | MH8 | | Name: | (2S)-2-amino-2-methylhept-6-enoic acid | | Formula: | C8 H15 N O2 | | SMILES: | O=C(O)C(N)(CCC/C=C)C | | InChi: | InChI=1S/C8H15NO2/c1-3-4-5-6-8(2,9)7(10)11/h3H,1,4-6,9H2,2H3,(H,10,11)/t8-/m0/s1 | | Definition date: | 2015-02-04 | | Last modified: | 2024-09-27 | | Release date: | 2015-09-09 | | Identifier: | (2S)-2-amino-2-methylhept-6-enoic acid |
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 | | MH9 | | Name: | (2E,4E)-DODECA-2,4-DIENOIC ACID | | Formula: | C12 H20 O2 | | SMILES: | O=C(O)C=CC=CCCCCCCC | | InChi: | InChI=1S/C12H20O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h8-11H,2-7H2,1H3,(H,13,14)/b9-8+,11-10+ | | Definition date: | 2011-03-28 | | Last modified: | 2024-09-27 | | Release date: | 2012-08-24 | | Identifier: | (2E,4E)-dodeca-2,4-dienoic acid |
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 | | O3T | | Name: | 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide | | Formula: | C21 H26 Cl2 F2 N2 O3 | | SMILES: | FC1(F)CCC(CC1)(Oc2ccc(Cl)cc2)C(=O)N3CCC(CC3)CNC(=O)CCl | | InChi: | InChI=1S/C21H26Cl2F2N2O3/c22-13-18(28)26-14-15-5-11-27(12-6-15)19(29)20(7-9-21(24,25)10-8-20)30-17-3-1-16(23)2-4-17/h1-4,15H,5-14H2,(H,26,28) | | Definition date: | 2022-08-26 | | Last modified: | 2024-09-27 | | Release date: | 2023-09-20 | | Identifier: | 2-chloranyl-~{N}-[[1-[1-(4-chloranylphenoxy)-4,4-bis(fluoranyl)cyclohexyl]carbonylpiperidin-4-yl]methyl]ethanamide |
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 | | NA3 | | Name: | (3S)-3-{[(5-BROMOPYRIDIN-3-YL)CARBONYL]AMINO}-4-OXOBUTANOIC ACID | | Formula: | C10 H9 Br N2 O4 | | SMILES: | O=C(c1cncc(Br)c1)NC(C=O)CC(=O)O | | InChi: | InChI=1S/C10H9BrN2O4/c11-7-1-6(3-12-4-7)10(17)13-8(5-14)2-9(15)16/h1,3-5,8H,2H2,(H,13,17)(H,15,16)/t8-/m0/s1 | | Definition date: | 2003-11-07 | | Last modified: | 2024-09-27 | | Identifier: | (3S)-3-{[(5-bromopyridin-3-yl)carbonyl]amino}-4-oxobutanoic acid |
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 | | O3U | | Name: | N-[(1R)-1,5-dicyano-4-(methylsulfanyl)-3-azaspiro[5.5]undeca-2,4-dien-2-yl]acetamide | | Formula: | C15 H18 N4 O S | | SMILES: | CC(=O)NC1=NC(SC)=C(C#N)C2(CCCCC2)C1C#N | | InChi: | InChI=1S/C15H18N4OS/c1-10(20)18-13-11(8-16)15(6-4-3-5-7-15)12(9-17)14(19-13)21-2/h11H,3-7H2,1-2H3,(H,18,19,20)/t11-/m1/s1 | | Definition date: | 2023-08-16 | | Last modified: | 2024-09-27 | | Release date: | 2023-11-08 | | Identifier: | N-[(1R)-1,5-dicyano-4-(methylsulfanyl)-3-azaspiro[5.5]undeca-2,4-dien-2-yl]acetamide |
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 | | SKL | | Name: | 2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide | | Formula: | C21 H14 Cl N3 O4 | | SMILES: | [O-][N+](=O)c1cc(c(Cl)cc1)C(=O)Nc1ccc(cc1)c1nc2cc(C)ccc2o1 | | InChi: | InChI=1S/C21H14ClN3O4/c1-12-2-9-19-18(10-12)24-21(29-19)13-3-5-14(6-4-13)23-20(26)16-11-15(25(27)28)7-8-17(16)22/h2-11H,1H3,(H,23,26) | | Definition date: | 2022-07-07 | | Last modified: | 2024-09-27 | | Release date: | 2022-09-07 | | Identifier: | 2-chloro-N-[4-(5-methyl-1,3-benzoxazol-2-yl)phenyl]-5-nitrobenzamide |
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 | | RE0 | | Name: | 3-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine | | Formula: | C11 H12 N2 O4 | | SMILES: | O=C(O)C(N)CC2(O)c1ccccc1NC2=O | | InChi: | InChI=1S/C11H12N2O4/c12-7(9(14)15)5-11(17)6-3-1-2-4-8(6)13-10(11)16/h1-4,7,17H,5,12H2,(H,13,16)(H,14,15)/t7-,11+/m0/s1 | | Definition date: | 2011-02-03 | | Last modified: | 2024-09-27 | | Identifier: | 3-[(3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-3-yl]-L-alanine |
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 | | PS5 | | Name: | PENTASULFIDE-SULFUR | | Formula: | S5 | | SMILES: | [S-]SSS[S-] | | InChi: | InChI=1S/H2S5/c1-3-5-4-2/h1-2H/p-2 | | Definition date: | 2003-09-15 | | Last modified: | 2024-09-27 | | Identifier: | pentasulfane-1,5-diide |
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 | | OXU | | Name: | 2-bromanylethanamine | | Formula: | C2 H6 Br N | | SMILES: | NCCBr | | InChi: | InChI=1S/C2H6BrN/c3-1-2-4/h1-2,4H2 | | Definition date: | 2023-08-22 | | Last modified: | 2024-09-27 | | Release date: | 2023-09-27 | | Identifier: | 2-bromanylethanamine |
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 | | NA4 | | Name: | 4-[5-(2-CARBOXY-1-FORMYL-ETHYLCARBAMOYL)-PYRIDIN-3-YL]-BENZOIC ACID | | Formula: | C17 H14 N2 O6 | | SMILES: | O=C(O)CC(C=O)NC(=O)c2cncc(c1ccc(C(=O)O)cc1)c2 | | InChi: | InChI=1S/C17H14N2O6/c20-9-14(6-15(21)22)19-16(23)13-5-12(7-18-8-13)10-1-3-11(4-2-10)17(24)25/h1-5,7-9,14H,6H2,(H,19,23)(H,21,22)(H,24,25)/t14-/m0/s1 | | Definition date: | 2003-11-19 | | Last modified: | 2024-09-27 | | Identifier: | 4-(5-{[(1S)-2-carboxy-1-formylethyl]carbamoyl}pyridin-3-yl)benzoic acid |
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 | | NO | | Name: | NITRIC OXIDE | | Formula: | N O | | SMILES: | [N]=O | | InChi: | InChI=1S/HNO/c1-2/h1H | | Synonyms: | Nitrogen monoxide | | Definition date: | 1999-07-08 | | Last modified: | 2024-09-27 | | Identifier: | nitric oxide |
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