![C9P C9P](https://data.pdbj.org/pdbjplus/data/cc/svg/C9P.svg) | C9P | Name: | 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid | Formula: | C17 H14 B N O8 S3 | SMILES: | O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cc(B(O)O)ccc2C(=O)O)c3ccccc3 | InChi: | InChI=1S/C17H14BNO8S3/c20-17(21)14-7-6-11(18(22)23)8-15(14)19-30(26,27)16-9-13(10-28-16)29(24,25)12-4-2-1-3-5-12/h1-10,19,22-23H,(H,20,21) | Synonyms: | 3-(4-BENZENESULFONYL-THIOPHENE-2-SULFONYLAMINO)-4-CARBOXY-PHENYLBORONIC ACID | Definition date: | 2007-12-20 | Last modified: | 2021-03-01 | Identifier: | 4-(dihydroxyboranyl)-2-({[4-(phenylsulfonyl)thiophen-2-yl]sulfonyl}amino)benzoic acid |
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![CAC CAC](https://data.pdbj.org/pdbjplus/data/cc/svg/CAC.svg) | CAC | Name: | CACODYLATE ION | Formula: | C2 H6 As O2 | SMILES: | [O-][As](=O)(C)C | InChi: | InChI=1S/C2H7AsO2/c1-3(2,4)5/h1-2H3,(H,4,5)/p-1 | Synonyms: | dimethylarsinate | Definition date: | 1999-07-08 | Last modified: | 2021-03-01 | Identifier: | dimethylarsinate |
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![CCA CCA](https://data.pdbj.org/pdbjplus/data/cc/svg/CCA.svg) | CCA | Name: | 2-BENZOYLOXY-8-METHYL-8-AZA-BICYCLO[3.2.1]OCTANE-3-CARBOXYLIC ACID METHYL ESTER | Formula: | C17 H22 N O4 | SMILES: | O=C(OC)C3C1[NH+](C)C(CC1)CC3OC(=O)c2ccccc2 | InChi: | InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/p+1/t12-,13+,14-,15+/m1/s1 | Synonyms: | COCAINE | Definition date: | 2001-04-12 | Last modified: | 2021-03-01 | Identifier: | (1S,2S,3R,5R,8R)-2-(methoxycarbonyl)-8-methyl-3-[(phenylcarbonyl)oxy]-8-azoniabicyclo[3.2.1]octane |
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![CCX CCX](https://data.pdbj.org/pdbjplus/data/cc/svg/CCX.svg) | CCX | Name: | 3-cyano-N-{1-[4-(5-cyano-1H-indol-3-yl)butyl]piperidin-4-yl}-1H-indole-7-carboxamide | Formula: | C28 H28 N6 O | SMILES: | N#Cc2c1cccc(c1nc2)C(=O)NC5CCN(CCCCc4c3cc(C#N)ccc3nc4)CC5 | InChi: | InChI=1S/C28H28N6O/c29-15-19-7-8-26-25(14-19)20(17-31-26)4-1-2-11-34-12-9-22(10-13-34)33-28(35)24-6-3-5-23-21(16-30)18-32-27(23)24/h3,5-8,14,17-18,22,31-32H,1-2,4,9-13H2,(H,33,35) | Synonyms: | 3-Cyano-1H-indole-7-carboxylic acid {1-[4-(5-cyano-1H-indol-3-yl)-butyl]-piperidin-4-yl}-amide | Definition date: | 2010-03-04 | Last modified: | 2021-03-01 | Identifier: | 3-cyano-N-{1-[4-(5-cyano-1H-indol-3-yl)butyl]piperidin-4-yl}-1H-indole-7-carboxamide |
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![CD4 CD4](https://data.pdbj.org/pdbjplus/data/cc/svg/CD4.svg) | CD4 | Name: | (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate | Formula: | C65 H126 O17 P2 | SMILES: | O=C(OC(COP(=O)(OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)O)COC(=O)CCCCCCCCCCCCC)CCCCCCCCCCCCC | InChi: | InChI=1S/C65H126O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-62(67)75-55-60(81-64(69)51-47-43-39-35-31-27-23-19-15-11-7-3)57-79-83(71,72)77-53-59(66)54-78-84(73,74)80-58-61(82-65(70)52-48-44-40-36-32-28-24-20-16-12-8-4)56-76-63(68)50-46-42-38-34-30-26-22-18-14-10-6-2/h59-61,66H,5-58H2,1-4H3,(H,71,72)(H,73,74)/t60-,61-/m1/s1 | Synonyms: | tetramyristoyl-cardiolipin | Definition date: | 2009-02-11 | Last modified: | 2021-03-01 | Identifier: | (2R,5R,11R,14R)-5,8,11-trihydroxy-5,11-dioxido-17-oxo-2,14-bis(tetradecanoyloxy)-4,6,10,12,16-pentaoxa-5,11-diphosphatriacont-1-yl tetradecanoate (non-preferred name) |
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![CD7 CD7](https://data.pdbj.org/pdbjplus/data/cc/svg/CD7.svg) | CD7 | Name: | (2S,5Z)-1-formyl-5-imino-N'-[(3R)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide | Formula: | C12 H19 N5 O7 S | SMILES: | O=CN1C(CCC(/C1)=N)C(NNC(=O)C2CCN(OS(=O)(=O)O)C2)=O | InChi: | InChI=1S/C12H19N5O7S/c13-9-1-2-10(16(6-9)7-18)12(20)15-14-11(19)8-3-4-17(5-8)24-25(21,22)23/h7-8,10,13H,1-6H2,(H,14,19)(H,15,20)(H,21,22,23)/b13-9-/t8-,10+/m1/s1 | Synonyms: | open form - WCK 5153 | Definition date: | 2017-09-20 | Last modified: | 2021-03-01 | Release date: | 2018-08-01 | Identifier: | (2S,5Z)-1-formyl-5-imino-N'-[(3R)-1-(sulfooxy)pyrrolidine-3-carbonyl]piperidine-2-carbohydrazide |
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![CDT CDT](https://data.pdbj.org/pdbjplus/data/cc/svg/CDT.svg) | CDT | Name: | 4-METHYLSULFANYL-2-UREIDO-BUTYRIC ACID | Formula: | C6 H12 N2 O3 S | SMILES: | O=C(NC(C(=O)O)CCSC)N | InChi: | InChI=1S/C6H12N2O3S/c1-12-3-2-4(5(9)10)8-6(7)11/h4H,2-3H2,1H3,(H,9,10)(H3,7,8,11)/t4-/m1/s1 | Synonyms: | N-CARBAMYL-D-METHIONINE | Definition date: | 2003-05-28 | Last modified: | 2021-03-01 | Identifier: | N-carbamoyl-D-methionine |
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![CDV CDV](https://data.pdbj.org/pdbjplus/data/cc/svg/CDV.svg) | CDV | Name: | 3-METHYL-2-UREIDO-BUTYRIC ACID | Formula: | C6 H12 N2 O3 | SMILES: | O=C(O)C(NC(=O)N)C(C)C | InChi: | InChI=1S/C6H12N2O3/c1-3(2)4(5(9)10)8-6(7)11/h3-4H,1-2H3,(H,9,10)(H3,7,8,11)/t4-/m1/s1 | Synonyms: | N-CARBAMYL-D-VALINE | Definition date: | 2003-05-29 | Last modified: | 2021-03-01 | Identifier: | N-carbamoyl-D-valine |
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![CEI CEI](https://data.pdbj.org/pdbjplus/data/cc/svg/CEI.svg) | CEI | Name: | N-[3-BENZYL-5-(4-HYDROXYPHENYL)PYRAZIN-2-YL]-2-(4-HYDROXYPHENYL)ACETAMIDE | Formula: | C25 H21 N3 O3 | SMILES: | O=C(Nc1ncc(nc1Cc2ccccc2)c3ccc(O)cc3)Cc4ccc(O)cc4 | InChi: | InChI=1S/C25H21N3O3/c29-20-10-6-18(7-11-20)15-24(31)28-25-22(14-17-4-2-1-3-5-17)27-23(16-26-25)19-8-12-21(30)13-9-19/h1-13,16,29-30H,14-15H2,(H,26,28,31) | Synonyms: | COELENTERAMIDE | Definition date: | 2004-01-26 | Last modified: | 2021-03-01 | Identifier: | N-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide |
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![CEN CEN](https://data.pdbj.org/pdbjplus/data/cc/svg/CEN.svg) | CEN | Name: | 7BETA-(4CARBOXYBUTANAMIDO) CEPHALOSPORANIC ACID | Formula: | C15 H18 N2 O8 S | SMILES: | O=C2N1C(=C(CSC1C2NC(=O)CCCC(=O)O)COC(=O)C)C(=O)O | InChi: | InChI=1S/C15H18N2O8S/c1-7(18)25-5-8-6-26-14-11(13(22)17(14)12(8)15(23)24)16-9(19)3-2-4-10(20)21/h11,14H,2-6H2,1H3,(H,16,19)(H,20,21)(H,23,24)/t11-,14-/m1/s1 | Synonyms: | GLUTARYL 7-AMINO CEPHALOSPORANIC ACID | Definition date: | 2001-01-19 | Last modified: | 2021-03-01 | Identifier: | (6R,7R)-3-[(acetyloxy)methyl]-7-[(4-carboxybutanoyl)amino]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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![CEO CEO](https://data.pdbj.org/pdbjplus/data/cc/svg/CEO.svg) | CEO | Name: | 5-METHYLENE-2-[2-OXO-1-(2-THIOPHEN-2-YL-ACETYLAMINO)-ETHYL]-5,6-DIHYDRO-2H-[1,3]THIAZINE-4-CARBOXYLIC ACID | Formula: | C14 H14 N2 O4 S2 | SMILES: | O=CC(NC(=O)Cc1sccc1)C2N=C(C(=C)CS2)C(=O)O | InChi: | InChI=1S/C14H14N2O4S2/c1-8-7-22-13(16-12(8)14(19)20)10(6-17)15-11(18)5-9-3-2-4-21-9/h2-4,6,10,13H,1,5,7H2,(H,15,18)(H,19,20)/t10-,13-/m1/s1 | Synonyms: | HYDROLYZED CEPHALOTHIN | Definition date: | 2002-02-11 | Last modified: | 2021-03-01 | Identifier: | (2R)-5-methylidene-2-{(1R)-2-oxo-1-[(thiophen-2-ylacetyl)amino]ethyl}-5,6-dihydro-2H-1,3-thiazine-4-carboxylic acid |
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![CFB CFB](https://data.pdbj.org/pdbjplus/data/cc/svg/CFB.svg) | CFB | Name: | 2-CHLORO-9-(2-DEOXY-2-FLUORO-B -D-ARABINOFURANOSYL)-9H-PURIN-6-AMINE | Formula: | C10 H11 Cl F N5 O3 | SMILES: | Clc1nc(c2ncn(c2n1)C3OC(C(O)C3F)CO)N | InChi: | InChI=1S/C10H11ClFN5O3/c11-10-15-7(13)5-8(16-10)17(2-14-5)9-4(12)6(19)3(1-18)20-9/h2-4,6,9,18-19H,1H2,(H2,13,15,16)/t3-,4+,6-,9-/m1/s1 | Synonyms: | CLOFARABINE | Definition date: | 2005-07-14 | Last modified: | 2021-03-01 | Identifier: | 2-chloro-9-(2-deoxy-2-fluoro-beta-D-arabinofuranosyl)-9H-purin-6-amine |
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![CFE CFE](https://data.pdbj.org/pdbjplus/data/cc/svg/CFE.svg) | CFE | Name: | (8R)-3-beta-D-ribofuranosyl-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol | Formula: | C11 H16 N4 O5 | SMILES: | OC[CH]1O[CH]([CH](O)[CH]1O)n2cnc3[CH](O)CNC=Nc23 | InChi: | InChI=1S/C11H16N4O5/c16-2-6-8(18)9(19)11(20-6)15-4-14-7-5(17)1-12-3-13-10(7)15/h3-6,8-9,11,16-19H,1-2H2,(H,12,13)/t5-,6-,8-,9-,11-/m1/s1 | Synonyms: | Coformycin | Definition date: | 2010-01-26 | Last modified: | 2021-03-01 | Identifier: | (2R,3R,4S,5R)-2-[(8R)-8-hydroxy-7,8-dihydro-6H-imidazo[4,5-d][1,3]diazepin-3-yl]-5-(hydroxymethyl)oxolane-3,4-diol |
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![CGO CGO](https://data.pdbj.org/pdbjplus/data/cc/svg/CGO.svg) | CGO | Name: | sodium 3,3'-(1E,1'E)-biphenyl-4,4'-diylbis(diazene-2,1-diyl)bis(4-aminonaphthalene-1-sulfonate) | Formula: | C32 H22 N6 Na2 O6 S2 | SMILES: | [Na+][O-]S(=O)(=O)c5cc(/N=N/c1ccc(cc1)c4ccc(/N=N/c3c(c2ccccc2c(c3)S(=O)(=O)[O-][Na+])N)cc4)c(N)c6c5cccc6 | InChi: | InChI=1S/C32H24N6O6S2.2Na/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34 | Synonyms: | congo red | Definition date: | 2011-04-21 | Last modified: | 2021-03-01 | Identifier: | mu-{3,3'-[biphenyl-4,4'-diyldi(E)diazene-2,1-diyl]bis(4-aminonaphthalene-1-sulfonato-kappaO)(2-)}disodium |
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![CGR CGR](https://data.pdbj.org/pdbjplus/data/cc/svg/CGR.svg) | CGR | Name: | CYCLIC GUANOSINE DIPHOSPHATE-RIBOSE | Formula: | C15 H23 N5 O14 P2 | SMILES: | O=C1C=2N3CN(C=2N=C(N)N1)C5OC(COP(=O)(O)OP(=O)(O)OCC4OC3C(O)C4O)C(O)C5O | InChi: | InChI=1S/C15H23N5O14P2/c16-15-17-11-6(12(25)18-15)19-3-20(11)14-10(24)8(22)5(33-14)2-31-36(28,29)34-35(26,27)30-1-4-7(21)9(23)13(19)32-4/h4-5,7-10,13-14,21-24H,1-3H2,(H,26,27)(H,28,29)(H3,16,17,18,25)/t4-,5-,7-,8-,9-,10-,13-,14-/m1/s1 | Synonyms: | CYCLIC GDP-RIBOSE | Definition date: | 2006-12-11 | Last modified: | 2021-03-01 | Identifier: | (2R,3R,4S,5R,8S,10S,13R,14S,15R,16R)-20-amino-3,4,8,10,14,15-hexahydroxy-7,9,11,25,26-pentaoxa-1,17,19,21-tetraaza-8,10-diphosphapentacyclo[15.6.1.1~2,5~.1~13,16~.0~18,23~]hexacosa-18(23),19-dien-22-one 8,10-dioxide (non-preferred name) |
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![CH5 CH5](https://data.pdbj.org/pdbjplus/data/cc/svg/CH5.svg) | CH5 | Name: | 2-(((R)-2,3-DIHYDROXYPROPYL)PHOSPHORYLOXY)-N,N,N-TRIMETHYLETHANAMINIUM | Formula: | C8 H21 N O6 P | SMILES: | O=P(OCC(O)CO)(OCC[N+](C)(C)C)O | InChi: | InChI=1S/C8H20NO6P/c1-9(2,3)4-5-14-16(12,13)15-7-8(11)6-10/h8,10-11H,4-7H2,1-3H3/p+1/t8-/m1/s1 | Synonyms: | GLYCERO-3-PHOSPHOCHOLINE | Definition date: | 2005-08-12 | Last modified: | 2021-03-01 | Identifier: | 2-{[(S)-{[(2R)-2,3-dihydroxypropyl]oxy}(hydroxy)phosphoryl]oxy}-N,N,N-trimethylethanaminium |
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![CHU CHU](https://data.pdbj.org/pdbjplus/data/cc/svg/CHU.svg) | CHU | Name: | N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide | Formula: | C21 H18 F N5 O5 S | SMILES: | O=S(=O)(NC)Nc1nccc(c1F)CC2=C(c4c(OC2=O)cc(Oc3ncccn3)cc4)C | InChi: | InChI=1S/C21H18FN5O5S/c1-12-15-5-4-14(31-21-25-7-3-8-26-21)11-17(15)32-20(28)16(12)10-13-6-9-24-19(18(13)22)27-33(29,30)23-2/h3-9,11,23H,10H2,1-2H3,(H,24,27) | Synonyms: | CH5126766 | Definition date: | 2013-10-01 | Last modified: | 2021-03-01 | Release date: | 2014-06-04 | Identifier: | N-(3-fluoro-4-{[4-methyl-2-oxo-7-(pyrimidin-2-yloxy)-2H-chromen-3-yl]methyl}pyridin-2-yl)-N'-methylsulfuric diamide |
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![CIE CIE](https://data.pdbj.org/pdbjplus/data/cc/svg/CIE.svg) | CIE | Name: | 2-[[[[(4-CHLORO-6-METHOXY-2-PYRIMIDINYL)AMINO]CARBONYL]AMINO]SULFONYL]BENZOIC ACID ETHYL ESTER | Formula: | C15 H15 Cl N4 O6 S | SMILES: | O=C(Nc1nc(OC)cc(Cl)n1)NS(=O)(=O)c2ccccc2C(=O)OCC | InChi: | InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22) | Synonyms: | CHLORIMURON ETHYL | Definition date: | 2002-11-01 | Last modified: | 2021-03-01 | Identifier: | ethyl 2-{[(4-chloro-6-methoxypyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate |
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![CIO CIO](https://data.pdbj.org/pdbjplus/data/cc/svg/CIO.svg) | CIO | Name: | CILOMILAST | Formula: | C20 H25 N O4 | SMILES: | O=C(O)C3CCC(C#N)(c2cc(OC1CCCC1)c(OC)cc2)CC3 | InChi: | InChI=1S/C20H25NO4/c1-24-17-7-6-15(12-18(17)25-16-4-2-3-5-16)20(13-21)10-8-14(9-11-20)19(22)23/h6-7,12,14,16H,2-5,8-11H2,1H3,(H,22,23)/t14-,20- | Synonyms: | CIS-4-CYANO-4-[3-(CYCLOPENTYLOXY)-4-METHOXYPHENYL]CYCLOHEXANECARBOXYLIC ACID | Definition date: | 2004-10-18 | Last modified: | 2021-03-01 | Identifier: | cis-4-cyano-4-[3-(cyclopentyloxy)-4-methoxyphenyl]cyclohexanecarboxylic acid |
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![CIX CIX](https://data.pdbj.org/pdbjplus/data/cc/svg/CIX.svg) | CIX | Name: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide | Formula: | C25 H42 B N3 O6 | SMILES: | O=C(NC(B(O)O)CC(C)C)C(NC(=O)C(NC(=O)OCc1ccccc1)CC(C)C)CC(C)C | InChi: | InChI=1S/C25H42BN3O6/c1-16(2)12-20(24(31)29-22(26(33)34)14-18(5)6)27-23(30)21(13-17(3)4)28-25(32)35-15-19-10-8-7-9-11-19/h7-11,16-18,20-22,33-34H,12-15H2,1-6H3,(H,27,30)(H,28,32)(H,29,31)/t20-,21-,22-/m0/s1 | Synonyms: | MG262 | Definition date: | 2012-08-02 | Last modified: | 2021-03-01 | Release date: | 2013-06-26 | Identifier: | N-[(benzyloxy)carbonyl]-L-leucyl-N-[(1R)-1-(dihydroxyboranyl)-3-methylbutyl]-L-leucinamide |
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![CIZ CIZ](https://data.pdbj.org/pdbjplus/data/cc/svg/CIZ.svg) | CIZ | Name: | (~{Z})-2-methylbut-2-enedioic acid | Formula: | C5 H6 O4 | SMILES: | O=C(O)C(C)=[C@H]C(O)=O | InChi: | InChI=1S/C5H6O4/c1-3(5(8)9)2-4(6)7/h2H,1H3,(H,6,7)(H,8,9)/b3-2- | Synonyms: | CITRACONATE | Definition date: | 2016-07-18 | Last modified: | 2021-03-01 | Release date: | 2016-07-27 | Identifier: | (2Z)-2-methylbut-2-enedioic acid |
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![CJX CJX](https://data.pdbj.org/pdbjplus/data/cc/svg/CJX.svg) | CJX | Name: | (2R,3S,4S,5R,6R)-2-(aminomethyl)-6-[(1R,2S,3S,4R,6S)-4,6-bis(azanyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-oxane-3,4,5-triol | Formula: | C18 H35 N3 O12 | SMILES: | NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]2O)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C18H35N3O12/c19-2-6-8(23)10(25)12(27)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)11(26)9(24)7(3-22)31-18/h4-18,22-29H,1-3,19-21H2/t4-,5+,6+,7+,8+,9+,10-,11-,12+,13+,14-,15+,16-,17+,18+/m0/s1 | Synonyms: | 3"-deamino-3"-hydroxykanamycin A | Definition date: | 2019-04-25 | Last modified: | 2021-03-01 | Release date: | 2020-04-15 | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(aminomethyl)-6-[(1~{R},2~{S},3~{S},4~{R},6~{S})-4,6-bis(azanyl)-3-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-oxidanyl-cyclohexyl]oxy-oxane-3,4,5-triol |
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![CK0 CK0](https://data.pdbj.org/pdbjplus/data/cc/svg/CK0.svg) | CK0 | Name: | (2S,3R,4S,5S,6R)-2-[(1S,2S,3R,4S,6R)-3-[(2R,3R,4R,5S,6R)-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol | Formula: | C18 H36 N4 O11 | SMILES: | NC[CH]1O[CH](O[CH]2[CH](N)C[CH](N)[CH](O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)[CH]2O)[CH](N)[CH](O)[CH]1O | InChi: | InChI=1S/C18H36N4O11/c19-2-6-9(24)11(26)8(22)17(30-6)32-15-4(20)1-5(21)16(14(15)29)33-18-13(28)12(27)10(25)7(3-23)31-18/h4-18,23-29H,1-3,19-22H2/t4-,5+,6+,7+,8+,9+,10+,11+,12-,13+,14-,15+,16-,17+,18+/m0/s1 | Synonyms: | 3"-deamino-3"-hydroxykanamycin B | Definition date: | 2019-04-25 | Last modified: | 2021-03-01 | Release date: | 2020-04-15 | Identifier: | (2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(1~{S},2~{S},3~{R},4~{S},6~{R})-3-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(aminomethyl)-3-azanyl-4,5-bis(oxidanyl)oxan-2-yl]oxy-4,6-bis(azanyl)-2-oxidanyl-cyclohexyl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
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![CK9 CK9](https://data.pdbj.org/pdbjplus/data/cc/svg/CK9.svg) | CK9 | Name: | 2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL | Formula: | C19 H26 N6 O2 | SMILES: | n1c(c2ncn(c2nc1NC(CC)CO)C(C)C)NCc3ccccc3O | InChi: | InChI=1S/C19H26N6O2/c1-4-14(10-26)22-19-23-17(20-9-13-7-5-6-8-15(13)27)16-18(24-19)25(11-21-16)12(2)3/h5-8,11-12,14,26-27H,4,9-10H2,1-3H3,(H2,20,22,23,24)/t14-/m1/s1 | Synonyms: | OLOMOUCINE II | Definition date: | 2005-09-08 | Last modified: | 2021-03-01 | Identifier: | 2-({[2-{[(1R)-1-(hydroxymethyl)propyl]amino}-9-(1-methylethyl)-9H-purin-6-yl]amino}methyl)phenol |
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![CKA CKA](https://data.pdbj.org/pdbjplus/data/cc/svg/CKA.svg) | CKA | Name: | 7-Chlorokynurenic acid | Formula: | C10 H6 Cl N O3 | SMILES: | c1cc(cc2c1C(C=C(C(O)=O)N2)=O)Cl | InChi: | InChI=1S/C10H6ClNO3/c11-5-1-2-6-7(3-5)12-8(10(14)15)4-9(6)13/h1-4H,(H,12,13)(H,14,15) | Synonyms: | 7-CKA | Definition date: | 2015-07-02 | Last modified: | 2021-03-01 | Release date: | 2015-12-29 | Identifier: | 7-chloro-4-oxo-1,4-dihydroquinoline-2-carboxylic acid |
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