| EIA | Name: | (1Z,3E,5S,7R,8R,10R,11R,12S,15R,16S,18Z,25S)-11-ethyl-2-hydroxy-10-methyl-21,26-diazapentacyclo[23.2.1.05,16.07,15.08,12]octacosa-1(2),3,13,18-tetraene-20,27,28-trione | Formula: | C29 H38 N2 O4 | SMILES: | CC[CH]1[CH](C)C[CH]2[CH]3C[CH]4C=CC(=C5C(=O)N[CH](CCCNC(=O)C=CC[CH]4[CH]3C=C[CH]12)C5=O)O | InChi: | InChI=1S/C29H38N2O4/c1-3-18-16(2)14-22-20(18)10-11-21-19-6-4-8-26(33)30-13-5-7-24-28(34)27(29(35)31-24)25(32)12-9-17(19)15-23(21)22/h4,8-12,16-24,32H,3,5-7,13-15H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,12-9+,27-25-/t16-,17-,18-,19+,20+,21-,22+,23+,24+/m1/s1 | Synonyms: | ikarugamycin | Definition date: | 2023-06-14 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 |
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| EIU | Name: | (1Z,3E,5E,7S,8R,10S,11R,13R,15R,16E,18E,25S)-11-ethyl-2,7-dihydroxy-10-methyl-21,26-diazatetracyclo[23.2.1.09,13.08,15]octacosa-1(2),3,5,16,18-pentaene-20,27,28-trione | Formula: | C29 H40 N2 O5 | SMILES: | CC[CH]1C[CH]2C[CH]3CC=CCC(=O)NCCC[CH]4NC(=O)C(=C(O)C=CC=C[CH](O)[CH]3[CH]2[CH]1C)C4=O | InChi: | InChI=1S/C29H40N2O5/c1-3-18-15-20-16-19-9-4-7-13-24(34)30-14-8-10-21-28(35)27(29(36)31-21)23(33)12-6-5-11-22(32)26(19)25(20)17(18)2/h4-7,11-12,17-22,25-26,32-33H,3,8-10,13-16H2,1-2H3,(H,30,34)(H,31,36)/b7-4+,11-5+,12-6+,27-23-/t17-,18+,19-,20+,21-,22-,25+,26-/m0/s1 | Definition date: | 2023-06-15 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 |
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| F7Z | Name: | (1Z,3E,5S,7R,8R,10R,11R,12S,13R,15S,16R,17S,19Z,26S)-11-ethyl-2-hydroxy-10-methyl-22,27-diaza-14 oxahexacyclo[24.2.1.05,17.07,16.013,15.08,12]nonacosa-1(2),3,19-triene-21,28,29-trione | Formula: | C29 H38 N2 O5 | SMILES: | CC[CH]1[CH](C)C[CH]2[CH]3C[CH]4C=CC(=C5C(=O)N[CH](CCCNC(=O)C=CC[CH]4[CH]3[CH]6O[CH]6[CH]12)C5=O)O | InChi: | InChI=1S/C29H38N2O5/c1-3-16-14(2)12-18-19-13-15-9-10-21(32)25-26(34)20(31-29(25)35)7-5-11-30-22(33)8-4-6-17(15)24(19)28-27(36-28)23(16)18/h4,8-10,14-20,23-24,27-28,32H,3,5-7,11-13H2,1-2H3,(H,30,33)(H,31,35)/b8-4-,10-9+,25-21-/t14-,15-,16-,17+,18-,19-,20+,23+,24-,27-,28+/m1/s1 | Synonyms: | epoxyikarugamycin | Definition date: | 2023-06-29 | Last modified: | 2023-11-10 | Release date: | 2023-11-15 |
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| E9V | Name: | N-methyl-L-histidine | Formula: | C7 H11 N3 O2 | SMILES: | CNC(Cc1cnc[NH]1)C(=O)O | InChi: | InChI=1S/C7H11N3O2/c1-8-6(7(11)12)2-5-3-9-4-10-5/h3-4,6,8H,2H2,1H3,(H,9,10)(H,11,12)/t6-/m0/s1 | Definition date: | 2017-12-14 | Last modified: | 2023-11-08 | Release date: | 2018-04-18 | Identifier: | N-methyl-L-histidine |
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| XQZ | Name: | N-T-Butylhydroxylamine | Formula: | C4 H11 N O | SMILES: | CC(C)(C)NO | InChi: | InChI=1S/C4H11NO/c1-4(2,3)5-6/h5-6H,1-3H3 | Synonyms: | N-hydroxy-2-methylpropan-2-amine | Definition date: | 2022-12-05 | Last modified: | 2023-11-06 | Release date: | 2023-07-12 | Identifier: | N-hydroxy-2-methylpropan-2-amine |
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| XY9 | Name: | 2,3,4-tri-O-sulfo-beta-D-xylopyranose | Formula: | C5 H10 O14 S3 | SMILES: | OC1OCC(OS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O | InChi: | InChI=1S/C5H10O14S3/c6-5-4(19-22(13,14)15)3(18-21(10,11)12)2(1-16-5)17-20(7,8)9/h2-6H,1H2,(H,7,8,9)(H,10,11,12)(H,13,14,15)/t2-,3+,4-,5-/m1/s1 | Definition date: | 2022-08-09 | Last modified: | 2023-11-06 | Release date: | 2023-07-12 | Identifier: | 2,3,4-tri-O-sulfo-beta-D-xylopyranose |
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| ZNY | Name: | (4R)-4-ethoxy-L-proline | Formula: | C7 H13 N O3 | SMILES: | CCOC1CC(NC1)C(=O)O | InChi: | InChI=1S/C7H13NO3/c1-2-11-5-3-6(7(9)10)8-4-5/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6+/m1/s1 | Definition date: | 2021-05-12 | Last modified: | 2023-11-03 | Release date: | 2022-03-02 | Identifier: | (4R)-4-ethoxy-L-proline |
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| 0FL | Name: | 3-amino-N-formyl-L-alanine | Formula: | C4 H8 N2 O3 | SMILES: | O=CNC(C(=O)O)CN | InChi: | InChI=1S/C4H8N2O3/c5-1-3(4(8)9)6-2-7/h2-3H,1,5H2,(H,6,7)(H,8,9)/t3-/m0/s1 | Definition date: | 2010-09-24 | Last modified: | 2023-11-03 | Identifier: | 3-amino-N-formyl-L-alanine |
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| UXQ | Name: | (2S)-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid | Formula: | C12 H15 Cl N2 O3 | SMILES: | N[CH](Cc1ccc(CNC(=O)CCl)cc1)C(O)=O | InChi: | InChI=1S/C12H15ClN2O3/c13-6-11(16)15-7-9-3-1-8(2-4-9)5-10(14)12(17)18/h1-4,10H,5-7,14H2,(H,15,16)(H,17,18)/t10-/m0/s1 | Definition date: | 2021-03-26 | Last modified: | 2023-11-03 | Release date: | 2021-10-13 | Identifier: | (2~{S})-2-azanyl-3-[4-[(2-chloranylethanoylamino)methyl]phenyl]propanoic acid |
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| VDK | Name: | [(1S,3S)-3-carboxycyclohexyl]azanium | Formula: | C7 H14 N O2 | SMILES: | [NH3+][CH]1CCC[CH](C1)C(O)=O | InChi: | InChI=1S/C7H13NO2/c8-6-3-1-2-5(4-6)7(9)10/h5-6H,1-4,8H2,(H,9,10)/p+1/t5-,6-/m0/s1 | Definition date: | 2021-05-07 | Last modified: | 2023-11-03 | Release date: | 2021-08-11 | Identifier: | [(1~{S},3~{S})-3-carboxycyclohexyl]azanium |
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| VDL | Name: | (2R,3R)-2,3-DIAMINOBUTANOIC ACID | Formula: | C4 H10 N2 O2 | SMILES: | O=C(O)C(N)C(N)C | InChi: | InChI=1S/C4H10N2O2/c1-2(5)3(6)4(7)8/h2-3H,5-6H2,1H3,(H,7,8)/t2-,3-/m1/s1 | Synonyms: | D-ERITHRO-2,3-DIAMINO-BUTYRIC ACID | Definition date: | 2004-07-16 | Last modified: | 2023-11-03 | Identifier: | (2R,3R)-2,3-diaminobutanoic acid |
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| UXS | Name: | (2S)-2-amino-4-(methylsulfanyl)butan-1-ol | Formula: | C5 H13 N O S | SMILES: | C(C(N)CCSC)O | InChi: | InChI=1S/C5H13NOS/c1-8-3-2-5(6)4-7/h5,7H,2-4,6H2,1H3/t5-/m0/s1 | Definition date: | 2020-06-04 | Last modified: | 2023-11-03 | Release date: | 2020-06-17 | Identifier: | (2S)-2-amino-4-(methylsulfanyl)butan-1-ol |
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| TQZ | Name: | 2-AMINO-3-PENTASULFANYLPROPAN-1-OL | Formula: | C3 H7 N O2 S5 | SMILES: | O=C(O)C(N)CSSSSS | InChi: | InChI=1S/C3H7NO2S5/c4-2(3(5)6)1-8-10-11-9-7/h2,7H,1,4H2,(H,5,6)/t2-/m0/s1 | Definition date: | 2013-04-23 | Last modified: | 2023-11-03 | Release date: | 2013-11-27 | Identifier: | 3-pentasulfanyl-L-alanine |
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| UXY | Name: | (4R)-4-hydroxy-L-lysine | Formula: | C6 H14 N2 O3 | SMILES: | NC(C(O)=O)CC(CCN)O | InChi: | InChI=1S/C6H14N2O3/c7-2-1-4(9)3-5(8)6(10)11/h4-5,9H,1-3,7-8H2,(H,10,11)/t4-,5+/m1/s1 | Definition date: | 2020-06-04 | Last modified: | 2023-11-03 | Release date: | 2020-10-07 | Identifier: | (4R)-4-hydroxy-L-lysine |
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| WRP | Name: | (betaR)-beta-hydroxy-1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan | Formula: | C16 H22 N2 O4 | SMILES: | O=C(O)C(N)C(O)c2c1ccccc1n(c2)C(C)(C)C(O)C | InChi: | InChI=1S/C16H22N2O4/c1-9(19)16(2,3)18-8-11(14(20)13(17)15(21)22)10-6-4-5-7-12(10)18/h4-9,13-14,19-20H,17H2,1-3H3,(H,21,22)/t9-,13+,14-/m1/s1 | Definition date: | 2013-06-20 | Last modified: | 2023-11-03 | Release date: | 2013-09-18 | Identifier: | (betaR)-beta-hydroxy-1-[(3R)-3-hydroxy-2-methylbutan-2-yl]-L-tryptophan |
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| TRF | Name: | N1-FORMYL-TRYPTOPHAN | Formula: | C12 H12 N2 O3 | SMILES: | O=C(O)C(N)Cc2c1ccccc1n(c2)C=O | InChi: | InChI=1S/C12H12N2O3/c13-10(12(16)17)5-8-6-14(7-15)11-4-2-1-3-9(8)11/h1-4,6-7,10H,5,13H2,(H,16,17)/t10-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | 1-formyl-L-tryptophan |
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| Z3E | Name: | O-benzyl-L-threonine | Formula: | C11 H15 N O3 | SMILES: | O=C(O)C(N)C(OCc1ccccc1)C | InChi: | InChI=1S/C11H15NO3/c1-8(10(12)11(13)14)15-7-9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3,(H,13,14)/t8-,10+/m1/s1 | Definition date: | 2010-10-27 | Last modified: | 2023-11-03 | Identifier: | O-benzyl-L-threonine |
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| TRM | Name: | 1H-BENOXIMIDAZOLE-2-CARBOXYLIC ACID | Formula: | C8 H6 N2 O2 | SMILES: | O=C(O)c2nc1ccccc1n2 | InChi: | InChI=1S/C8H6N2O2/c11-8(12)7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H,9,10)(H,11,12) | Definition date: | 2000-09-12 | Last modified: | 2023-11-03 | Identifier: | 1H-benzimidazole-2-carboxylic acid |
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| U6A | Name: | N-carboxy-L-threonine | Formula: | C5 H9 N O5 | SMILES: | C(NC(C(C)O)C(=O)O)(O)=O | InChi: | InChI=1S/C5H9NO5/c1-2(7)3(4(8)9)6-5(10)11/h2-3,6-7H,1H3,(H,8,9)(H,10,11)/t2-,3+/m1/s1 | Definition date: | 2020-04-27 | Last modified: | 2023-11-03 | Release date: | 2020-09-23 | Identifier: | N-carboxy-L-threonine |
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| TRN | Name: | NZ2-TRYPTOPHAN | Formula: | C10 H11 N3 O2 | SMILES: | O=C(O)C(N)Cc2c1cccnc1nc2 | InChi: | InChI=1S/C10H11N3O2/c11-8(10(14)15)4-6-5-13-9-7(6)2-1-3-12-9/h1-3,5,8H,4,11H2,(H,12,13)(H,14,15)/t8-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | 3-(1H-pyrrolo[2,3-b]pyridin-3-yl)-L-alanine |
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| VEF | Name: | (3S)-3-azanyl-2,2-bis(oxidanyl)butanoic acid | Formula: | C4 H9 N O4 | SMILES: | C[CH](N)C(O)(O)C(O)=O | InChi: | InChI=1S/C4H9NO4/c1-2(5)4(8,9)3(6)7/h2,8-9H,5H2,1H3,(H,6,7)/t2-/m0/s1 | Synonyms: | (3S)-3-azanyl-2-oxidanylidene-butanoic acid (precursor) | Definition date: | 2023-03-03 | Last modified: | 2023-11-03 | Release date: | 2023-07-19 | Identifier: | (3~{S})-3-azanyl-2,2-bis(oxidanyl)butanoic acid |
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| TRO | Name: | 2-HYDROXY-TRYPTOPHAN | Formula: | C11 H12 N2 O3 | SMILES: | O=C(O)C(N)Cc2c1ccccc1nc2O | InChi: | InChI=1S/C11H12N2O3/c12-8(11(15)16)5-7-6-3-1-2-4-9(6)13-10(7)14/h1-4,8,13-14H,5,12H2,(H,15,16)/t8-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | 2-hydroxy-L-tryptophan |
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| TRP | Name: | TRYPTOPHAN | Formula: | C11 H12 N2 O2 | SMILES: | O=C(O)C(N)Cc2c1ccccc1nc2 | InChi: | InChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | L-tryptophan |
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| TRQ | Name: | 2-AMINO-3-(6,7-DIOXO-6,7-DIHYDRO-1H-INDOL-3-YL)-PROPIONIC ACID | Formula: | C11 H10 N2 O4 | SMILES: | O=C(O)C(N)Cc2c1C=CC(=O)C(=O)c1nc2 | InChi: | InChI=1S/C11H10N2O4/c12-7(11(16)17)3-5-4-13-9-6(5)1-2-8(14)10(9)15/h1-2,4,7,13H,3,12H2,(H,16,17)/t7-/m0/s1 | Definition date: | 1999-07-08 | Last modified: | 2023-11-03 | Identifier: | 3-(6,7-dioxo-6,7-dihydro-1H-indol-3-yl)-L-alanine |
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| TRX | Name: | 6-HYDROXYTRYPTOPHAN | Formula: | C11 H12 N2 O3 | SMILES: | O=C(O)C(N)Cc2c1ccc(O)cc1nc2 | InChi: | InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-4-7(14)1-2-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m0/s1 | Definition date: | 2001-10-29 | Last modified: | 2023-11-03 | Identifier: | 6-hydroxy-L-tryptophan |
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