![ELS ELS](https://data.pdbj.org/pdbjplus/data/cc/svg/ELS.svg) | ELS | Name: | N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(4-pentylphenyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetr
ahydro-2H-pyran-2-yl]oxy}octan-2-yl]hexacosanamide | Formula: | C51 H92 N2 O10 | SMILES: | C(NC(=O)CCCCCCCCCCCCCCCCCCCCCCCCC)(COC1C(C(C(C(O1)CO)O)O)O)C(C(CCCC(=O)Nc2ccc(CCCCC)cc2)O)O | InChi: | InChI=1S/C51H92N2O10/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-28-32-46(57)53-42(39-62-51-50(61)49(60)48(59)44(38-54)63-51)47(58)43(55)31-29-33-45(56)52-41-36-34-40(35-37-41)30-27-6-4-2/h34-37,42-44,47-51,54-55,58-61H,3-33,38-39H2,1-2H3,(H,52,56)(H,53,57)/t42-,43+,44+,47-,48-,49-,50+,51-/m0/s1 | Synonyms: | aGSA[26,P5p] | Definition date: | 2018-01-19 | Last modified: | 2020-06-17 | Release date: | 2019-01-30 | Identifier: | N-[(2S,3S,4R)-3,4-dihydroxy-8-oxo-8-[(4-pentylphenyl)amino]-1-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl]oxy}octan-2-yl]hexacosanamide (non-preferred name) |
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![EM1 EM1](https://data.pdbj.org/pdbjplus/data/cc/svg/EM1.svg) | EM1 | Name: | (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a
,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside | Formula: | C43 H65 F N6 O10 | SMILES: | O=C2OC5(C(OC(=O)C(F)(C(=O)C(C(OC1OC(C)CC(N(C)C)C1O)C(OC)(C)CC(C(=O)C(C)C5N2CCCCn4nnc(c3cccc(N)c3)c4)C)C)C)CC)C | InChi: | InChI=1S/C43H65FN6O10/c1-12-32-43(8)35(50(40(55)60-43)19-14-13-18-49-23-30(46-47-49)28-16-15-17-29(45)21-28)26(4)33(51)24(2)22-41(6,56-11)37(27(5)36(53)42(7,44)39(54)58-32)59-38-34(52)31(48(9)10)20-25(3)57-38/h15-17,21,23-27,31-32,34-35,37-38,52H,12-14,18-20,22,45H2,1-11H3/t24-,25-,26+,27+,31+,32-,34-,35-,37-,38+,41-,42+,43-/m1/s1 | Synonyms: | CEM-101 | Definition date: | 2010-09-20 | Last modified: | 2020-06-17 | Identifier: | (3aS,4R,7S,9R,10R,11R,13R,15R,15aR)-1-{4-[4-(3-aminophenyl)-1H-1,2,3-triazol-1-yl]butyl}-4-ethyl-7-fluoro-11-methoxy-3a,7,9,11,13,15-hexamethyl-2,6,8,14-tetraoxotetradecahydro-2H-oxacyclotetradecino[4,3-d][1,3]oxazol-10-yl 3,4,6-trideoxy-3-(dimethylamino)-beta-D-xylo-hexopyranoside |
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![ENV ENV](https://data.pdbj.org/pdbjplus/data/cc/svg/ENV.svg) | ENV | Name: | (2R)-N-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide | Formula: | C14 H25 F N2 O5 | SMILES: | O=C(NCCC(=O)NCCCC(=O)CF)C(O)C(C)(C)CO | InChi: | InChI=1S/C14H25FN2O5/c1-14(2,9-18)12(21)13(22)17-7-5-11(20)16-6-3-4-10(19)8-15/h12,18,21H,3-9H2,1-2H3,(H,16,20)(H,17,22)/t12-/m0/s1 | Synonyms: | Fluoroacetyl carba(dethia)-pantetheine | Definition date: | 2009-12-16 | Last modified: | 2020-06-17 | Identifier: | (2R)-N-{3-[(5-fluoro-4-oxopentyl)amino]-3-oxopropyl}-2,4-dihydroxy-3,3-dimethylbutanamide |
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![ENW ENW](https://data.pdbj.org/pdbjplus/data/cc/svg/ENW.svg) | ENW | Name: | 2-({N-[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate | Formula: | C13 H23 F N2 O6 | SMILES: | O=C(OCCNC(=O)CCNC(=O)C(O)C(C)(C)CO)CF | InChi: | InChI=1S/C13H23FN2O6/c1-13(2,8-17)11(20)12(21)16-4-3-9(18)15-5-6-22-10(19)7-14/h11,17,20H,3-8H2,1-2H3,(H,15,18)(H,16,21)/t11-/m1/s1 | Synonyms: | Fluoroacetyl oxa(dethia)-pantetheine | Definition date: | 2009-12-17 | Last modified: | 2020-06-17 | Identifier: | 2-({N-[(2S)-2,4-dihydroxy-3,3-dimethylbutanoyl]-beta-alanyl}amino)ethyl fluoroacetate |
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![65A 65A](https://data.pdbj.org/pdbjplus/data/cc/svg/65A.svg) | 65A | Name: | 4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one | Formula: | C20 H21 N3 O2 | SMILES: | c3(C)c2c(c1ccccc1OC)c4C(=O)CC(C)(Cc4nc2nn3)C | InChi: | InChI=1S/C20H21N3O2/c1-11-16-17(12-7-5-6-8-15(12)25-4)18-13(21-19(16)23-22-11)9-20(2,3)10-14(18)24/h5-8H,9-10H2,1-4H3,(H,21,22,23) | Synonyms: | BRD3937 | Definition date: | 2016-01-26 | Last modified: | 2020-06-17 | Release date: | 2016-05-25 | Identifier: | 4-(2-methoxyphenyl)-3,7,7-trimethyl-1,6,7,8-tetrahydro-5H-pyrazolo[3,4-b]quinolin-5-one |
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![EPU EPU](https://data.pdbj.org/pdbjplus/data/cc/svg/EPU.svg) | EPU | Name: | URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL) BUTYRIC ACID | Formula: | C20 H29 N3 O19 P2 | SMILES: | O=P(OC1OC(C(O)C(O/C(=C)C(=O)O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O | InChi: | InChI=1S/C20H29N3O19P2/c1-7(18(30)31)38-16-12(21-8(2)25)19(40-9(5-24)14(16)28)41-44(35,36)42-43(33,34)37-6-10-13(27)15(29)17(39-10)23-4-3-11(26)22-20(23)32/h3-4,9-10,12-17,19,24,27-29H,1,5-6H2,2H3,(H,21,25)(H,30,31)(H,33,34)(H,35,36)(H,22,26,32)/t9-,10-,12-,13-,14-,15-,16-,17-,19-/m1/s1 | Synonyms: | ENOLPYRUVYL-URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | 2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}prop-2-enoic acid (non-preferred name) |
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![66R 66R](https://data.pdbj.org/pdbjplus/data/cc/svg/66R.svg) | 66R | Name: | trans-Ned 19 | Formula: | C30 H31 F N4 O3 | SMILES: | c1cccc(c1N2CCN(CC2)Cc3c(OC)ccc(c3)C5c4nc6c(c4CC(N5)C(O)=O)cccc6)F | InChi: | InChI=1S/C30H31FN4O3/c1-38-27-11-10-19(16-20(27)18-34-12-14-35(15-13-34)26-9-5-3-7-23(26)31)28-29-22(17-25(33-28)30(36)37)21-6-2-4-8-24(21)32-29/h2-11,16,25,28,32-33H,12-15,17-18H2,1H3,(H,36,37)/t25-,28+/m0/s1 | Synonyms: | (1R,3S)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxy
lic acid | Definition date: | 2016-02-05 | Last modified: | 2020-06-17 | Release date: | 2016-03-09 | Identifier: | (1R,3S)-1-(3-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-4-methoxyphenyl)-2,3,4,9-tetrahydro-1H-beta-carboline-3-carboxylic acid |
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![ERB ERB](https://data.pdbj.org/pdbjplus/data/cc/svg/ERB.svg) | ERB | Name: | Erythromycin B | Formula: | C37 H67 N O12 | SMILES: | O=C3OC(CC)C(C)C(O)C(C(=O)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1O)C(C(OC2OC(C(O)C(OC)(C2)C)C)C3C)C)C | InChi: | InChI=1S/C37H67NO12/c1-14-26-20(4)29(40)21(5)28(39)18(2)16-36(9,44)33(50-35-30(41)25(38(11)12)15-19(3)46-35)22(6)31(23(7)34(43)48-26)49-27-17-37(10,45-13)32(42)24(8)47-27/h18-27,29-33,35,40-42,44H,14-17H2,1-13H3/t18-,19-,20+,21+,22+,23-,24+,25+,26-,27+,29+,30-,31+,32+,33-,35+,36-,37-/m1/s1 | Synonyms: | 12-deoxyerythromycin | Definition date: | 2013-01-24 | Last modified: | 2020-06-17 | Release date: | 2013-05-01 | Identifier: | (3R,4S,5S,6R,7R,9R,11R,12S,13R,14R)-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12-dihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecane-2,10-dione (non-preferred name) |
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![ERN ERN](https://data.pdbj.org/pdbjplus/data/cc/svg/ERN.svg) | ERN | Name: | (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-AMINO-6-{[(2S,3R,4S,6R)-4-(DIMETHYLAMINO)-3-HYDROXY-6-METHYLTETRAHYDRO-2H-PY
RAN-2-YL]OXY}-14-ETHYL-7,12,13-TRIHYDROXY-4-{[(2R,4R,5S,6S)-5-HYDROXY-4-METHOXY-4,6-DIMETHYLTETRAHYDRO-2H-PYRAN-2-YL]OXY
}-3,5,7,9,11,13-HEXAMETHYLOXACYCLOTETRADECAN-2-ONE | Formula: | C37 H70 N2 O12 | SMILES: | O=C3OC(CC)C(O)(C)C(O)C(C)C(N)C(C)CC(O)(C)C(OC1OC(C)CC(N(C)C)C1O)C(C(OC2OC(C(O)C(OC)(C2)C)C)C3C)C | InChi: | InChI=1S/C37H70N2O12/c1-14-25-37(10,45)30(41)20(4)27(38)18(2)16-35(8,44)32(51-34-28(40)24(39(11)12)15-19(3)47-34)21(5)29(22(6)33(43)49-25)50-26-17-36(9,46-13)31(42)23(7)48-26/h18-32,34,40-42,44-45H,14-17,38H2,1-13H3/t18-,19-,20+,21+,22-,23+,24+,25-,26+,27+,28-,29+,30-,31+,32-,34+,35-,36-,37-/m1/s1 | Synonyms: | ERYTHROMYCYLAMINE | Definition date: | 2006-12-18 | Last modified: | 2020-06-17 | Identifier: | (3R,4S,5S,6R,7R,9R,10S,11S,12R,13S,14R)-10-amino-6-{[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyltetrahydro-2H-pyran-2-yl]oxy}-14-ethyl-7,12,13-trihydroxy-4-{[(2R,4R,5S,6S)-5-hydroxy-4-methoxy-4,6-dimethyltetrahydro-2H-pyran-2-yl]oxy}-3,5,7,9,11,13-hexamethyloxacyclotetradecan-2-one (non-preferred name) |
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![ESR ESR](https://data.pdbj.org/pdbjplus/data/cc/svg/ESR.svg) | ESR | Name: | 5-ALPHA-ESTRAN-3,17-DIONE | Formula: | C18 H26 O2 | SMILES: | O=C4CC3CCC2C1CCC(=O)C1(C)CCC2C3CC4 | InChi: | InChI=1S/C18H26O2/c1-18-9-8-14-13-5-3-12(19)10-11(13)2-4-15(14)16(18)6-7-17(18)20/h11,13-16H,2-10H2,1H3/t11-,13-,14+,15+,16-,18-/m0/s1 | Synonyms: | (13S)-13-METHYLDODECAHYDRO-1H-CYCLOPENTA[A]PHENANTHRENE-3,17(2H,4H)-DIONE | Definition date: | 2003-05-29 | Last modified: | 2020-06-17 | Identifier: | (5beta,9beta,10alpha,13alpha,14beta)-estrane-3,17-dione |
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![LTX LTX](https://data.pdbj.org/pdbjplus/data/cc/svg/LTX.svg) | LTX | Name: | (5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(
2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid | Formula: | C30 H47 N3 O9 S | SMILES: | CCCCCC=CCC=CC=CC=C[CH](SC[CH](NC(=O)CC[CH](N)C(O)=O)C(=O)NCC(O)=O)[CH](O)CCCC(O)=O | InChi: | InChI=1S/C30H47N3O9S/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-25(24(34)15-14-17-27(36)37)43-21-23(29(40)32-20-28(38)39)33-26(35)19-18-22(31)30(41)42/h6-7,9-13,16,22-25,34H,2-5,8,14-15,17-21,31H2,1H3,(H,32,40)(H,33,35)(H,36,37)(H,38,39)(H,41,42)/b7-6-,10-9-,12-11+,16-13+/t22-,23-,24-,25+/m0/s1 | Synonyms: | Leukotriene C4 | Definition date: | 2016-01-04 | Last modified: | 2020-06-17 | Release date: | 2016-05-11 | Identifier: | (5~{S},6~{R},7~{E},9~{E},11~{Z},14~{Z})-6-[(2~{R})-2-[[(4~{S})-4-azanyl-5-oxidanyl-5-oxidanylidene-pentanoyl]amino]-3-(2-hydroxy-2-oxoethylamino)-3-oxidanylidene-propyl]sulfanyl-5-oxidanyl-icosa-7,9,11,14-tetraenoic acid |
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![6ET 6ET](https://data.pdbj.org/pdbjplus/data/cc/svg/6ET.svg) | 6ET | Name: | capsazepine | Formula: | C19 H21 Cl N2 O2 S | SMILES: | c12cc(c(O)cc1CCCN(C2)C(=S)NCCc3ccc(cc3)Cl)O | InChi: | InChI=1S/C19H21ClN2O2S/c20-16-5-3-13(4-6-16)7-8-21-19(25)22-9-1-2-14-10-17(23)18(24)11-15(14)12-22/h3-6,10-11,23-24H,1-2,7-9,12H2,(H,21,25) | Synonyms: | N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide | Definition date: | 2016-03-23 | Last modified: | 2020-06-17 | Release date: | 2016-05-25 | Identifier: | N-[2-(4-chlorophenyl)ethyl]-7,8-dihydroxy-1,3,4,5-tetrahydro-2H-2-benzazepine-2-carbothioamide |
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![LXN LXN](https://data.pdbj.org/pdbjplus/data/cc/svg/LXN.svg) | LXN | Name: | ALLOXAN | Formula: | C4 H2 N2 O4 | SMILES: | O=C1C(=O)NC(=O)NC1=O | InChi: | InChI=1S/C4H2N2O4/c7-1-2(8)5-4(10)6-3(1)9/h(H2,5,6,8,9,10) | Synonyms: | MESOXALYLUREA | Definition date: | 2010-06-07 | Last modified: | 2020-06-17 | Identifier: | pyrimidine-2,4,5,6(1H,3H)-tetrone |
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![LY4 LY4](https://data.pdbj.org/pdbjplus/data/cc/svg/LY4.svg) | LY4 | Name: | (9R)-9-[(DIMETHYLAMINO)METHYL]-6,7,10,11-TETRAHYDRO-9H,18H-5,21:12,17-DIMETHENODIBENZO[E,K]PYRROLO[3,4-H][1,4,13]OXADIA
ZACYCLOHEXADECINE-18,20-DIONE | Formula: | C28 H28 N4 O3 | SMILES: | O=C6NC(=O)C=5c1cn(c2ccccc12)CCOC(CN(C)C)CCn4c3ccccc3c(c4)C=56 | InChi: | InChI=1S/C28H28N4O3/c1-30(2)15-18-11-12-31-16-21(19-7-3-5-9-23(19)31)25-26(28(34)29-27(25)33)22-17-32(13-14-35-18)24-10-6-4-8-20(22)24/h3-10,16-18H,11-15H2,1-2H3,(H,29,33,34)/t18-/m0/s1 | Synonyms: | LY333531 | Definition date: | 2003-12-15 | Last modified: | 2020-06-17 | Identifier: | (9S)-9-[(dimethylamino)methyl]-6,7,10,11-tetrahydro-9H,18H-5,21:12,17-di(metheno)dibenzo[e,k]pyrrolo[3,4-h][1,4,13]oxadiazacyclohexadecine-18,20(19H)-dione |
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![LYB LYB](https://data.pdbj.org/pdbjplus/data/cc/svg/LYB.svg) | LYB | Name: | 2-{4-[4-(4-{4-[2-(2-AMINO-4-OXO-4,7-DIHYDRO-3H-PYRROLO[2,3-D]PYRIMIDIN-5-YL)-ETHYL]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAMIN
O)-4-CARBOXY-BUTYRYLAMINO}-PENTANEDIOIC ACID | Formula: | C35 H42 N8 O15 | SMILES: | O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)CCc2cnc3N=C(NC(=O)c23)N)CCC(=O)O | InChi: | InChI=1S/C35H42N8O15/c36-35-42-28-27(30(50)43-35)18(15-37-28)6-3-16-1-4-17(5-2-16)29(49)41-22(34(57)58)9-13-25(46)39-20(32(53)54)7-11-23(44)38-19(31(51)52)8-12-24(45)40-21(33(55)56)10-14-26(47)48/h1-2,4-5,15,19-22H,3,6-14H2,(H,38,44)(H,39,46)(H,40,45)(H,41,49)(H,47,48)(H,51,52)(H,53,54)(H,55,56)(H,57,58)(H4,36,37,42,43,50)/t19-,20-,21?,22-/m0/s1 | Synonyms: | LY231514 TETRA GLU | Definition date: | 2001-08-27 | Last modified: | 2020-06-17 | Identifier: | N-({4-[2-(2-amino-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)ethyl]phenyl}carbonyl)-L-gamma-glutamyl-L-gamma-glutamyl-L-gamma-glutamylglutamic acid |
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![M0N M0N](https://data.pdbj.org/pdbjplus/data/cc/svg/M0N.svg) | M0N | Name: | (1-HYDROXY-2-IMIDAZO[1,2-A]PYRIDIN-3-YLETHANE-1,1-DIYL)BIS(PHOSPHONIC ACID) | Formula: | C9 H12 N2 O7 P2 | SMILES: | O=P(O)(O)C(O)(P(=O)(O)O)Cc1cnc2ccccn12 | InChi: | InChI=1S/C9H12N2O7P2/c12-9(19(13,14)15,20(16,17)18)5-7-6-10-8-3-1-2-4-11(7)8/h1-4,6,12H,5H2,(H2,13,14,15)(H2,16,17,18) | Synonyms: | MINODRONATE | Definition date: | 2005-11-10 | Last modified: | 2020-06-17 | Identifier: | (1-hydroxy-2-imidazo[1,2-a]pyridin-3-ylethane-1,1-diyl)bis(phosphonic acid) |
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![5CY 5CY](https://data.pdbj.org/pdbjplus/data/cc/svg/5CY.svg) | 5CY | Name: | 1-(3-hydroxypropyl)-2-{(1E,3E,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]penta-1,3-dien-1-y
l}-3,3-dimethyl-3H-indolium | Formula: | C31 H39 N2 O2 | SMILES: | OCCC[N+]=2c1ccccc1C(C=2C=CC=CC=C4N(c3ccccc3C4(C)C)CCCO)(C)C | InChi: | InChI=1S/C31H39N2O2/c1-30(2)24-14-8-10-16-26(24)32(20-12-22-34)28(30)18-6-5-7-19-29-31(3,4)25-15-9-11-17-27(25)33(29)21-13-23-35/h5-11,14-19,34-35H,12-13,20-23H2,1-4H3/q+1 | Synonyms: | N,N'-(dipropyl)-tetramethylindodicarbocyanine | Definition date: | 2013-04-17 | Last modified: | 2020-06-17 | Identifier: | 1-(3-hydroxypropyl)-2-{(1E,3E,5E)-5-[1-(3-hydroxypropyl)-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene]penta-1,3-dien-1-yl}-3,3-dimethyl-3H-indolium |
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![M4Y M4Y](https://data.pdbj.org/pdbjplus/data/cc/svg/M4Y.svg) | M4Y | Name: | parthenolide | Formula: | C15 H20 O3 | SMILES: | C1(=C)C(=O)OC2C3C(C)(CCC=C(C)CCC12)O3 | InChi: | InChI=1S/C15H20O3/c1-9-5-4-8-15(3)13(18-15)12-11(7-6-9)10(2)14(16)17-12/h5,11-13H,2,4,6-8H2,1,3H3/b9-5+/t11-,12-,13+,15+/m0/s1 | Synonyms: | (1aR,4E,7aS,10aS,10bR)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1
aH)-one | Definition date: | 2019-03-25 | Last modified: | 2020-06-17 | Release date: | 2019-06-26 | Identifier: | (1aR,4E,7aS,10aS,10bR)-1a,5-dimethyl-8-methylidene-2,3,6,7,7a,8,10a,10b-octahydrooxireno[9,10]cyclodeca[1,2-b]furan-9(1aH)-one |
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![5HV 5HV](https://data.pdbj.org/pdbjplus/data/cc/svg/5HV.svg) | 5HV | Name: | N-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}-N-{[
4'-(trifluoromethyl)biphenyl-4-yl]methyl}acetamide | Formula: | C36 H38 F4 N4 O2 S | SMILES: | CCN(CC)CCN(Cc2ccc(c1ccc(C(F)(F)F)cc1)cc2)C(=O)CN3C(=NC(C4=C3CCC4)=O)SCc5ccc(cc5)F | InChi: | InChI=1S/C36H38F4N4O2S/c1-3-42(4-2)20-21-43(22-25-8-12-27(13-9-25)28-14-16-29(17-15-28)36(38,39)40)33(45)23-44-32-7-5-6-31(32)34(46)41-35(44)47-24-26-10-18-30(37)19-11-26/h8-19H,3-7,20-24H2,1-2H3 | Synonyms: | Darapladib | Definition date: | 2015-09-28 | Last modified: | 2020-06-17 | Release date: | 2016-06-15 | Identifier: | N-[2-(diethylamino)ethyl]-2-{2-[(4-fluorobenzyl)sulfanyl]-4-oxo-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-1-yl}-N-{[4'-(trifluoromethyl)biphenyl-4-yl]methyl}acetamide |
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![5I5 5I5](https://data.pdbj.org/pdbjplus/data/cc/svg/5I5.svg) | 5I5 | Name: | 7-(5-DEOXY-BETA-D-RIBOFURANOSYL)-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-4-AMINE | Formula: | C11 H13 I N4 O3 | SMILES: | Ic2c1c(ncnc1n(c2)C3OC(C(O)C3O)C)N | InChi: | InChI=1S/C11H13IN4O3/c1-4-7(17)8(18)11(19-4)16-2-5(12)6-9(13)14-3-15-10(6)16/h2-4,7-8,11,17-18H,1H3,(H2,13,14,15)/t4-,7-,8-,11-/m1/s1 | Synonyms: | 5'-DEOXY-5-IODOTUBERCIDIN | Definition date: | 2006-10-20 | Last modified: | 2020-06-17 | Identifier: | 7-(5-deoxy-beta-D-ribofuranosyl)-5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
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![5ID 5ID](https://data.pdbj.org/pdbjplus/data/cc/svg/5ID.svg) | 5ID | Name: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL | Formula: | C11 H13 I N4 O4 | SMILES: | Ic2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N | InChi: | InChI=1S/C11H13IN4O4/c12-4-1-16(10-6(4)9(13)14-3-15-10)11-8(19)7(18)5(2-17)20-11/h1,3,5,7-8,11,17-19H,2H2,(H2,13,14,15)/t5-,7-,8-,11-/m1/s1 | Synonyms: | 5-IODOTUBERCIDIN | Definition date: | 2005-10-16 | Last modified: | 2020-06-17 | Identifier: | 5-iodo-7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
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![DOG DOG](https://data.pdbj.org/pdbjplus/data/cc/svg/DOG.svg) | DOG | Name: | DIGOXIGENIN | Formula: | C23 H34 O5 | SMILES: | O=C1OCC(=C1)C5C4(C(O)CC3C(CCC2CC(O)CCC23C)C4(O)CC5)C | InChi: | InChI=1S/C23H34O5/c1-21-7-5-15(24)10-14(21)3-4-17-18(21)11-19(25)22(2)16(6-8-23(17,22)27)13-9-20(26)28-12-13/h9,14-19,24-25,27H,3-8,10-12H2,1-2H3/t14-,15+,16-,17-,18+,19-,21+,22+,23+/m1/s1 | Synonyms: | 4-(3,12,14-TRIHYDROXY-10,13-DIMETHYL-HEXADECAHYDRO-CYCLOPENTA[A]PHENANTHREN-17-YL)-5H-FURAN-2-ONE | Definition date: | 2002-05-06 | Last modified: | 2020-06-17 | Identifier: | (3alpha,5beta,8alpha,12beta)-3,12,14-trihydroxycard-20(22)-enolide |
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![DPB DPB](https://data.pdbj.org/pdbjplus/data/cc/svg/DPB.svg) | DPB | Name: | (S)-1-[2'-DEOXY-3',5'-O-(1-PHOSPHONO)BENZYLIDENE-B-D-THREO-PENTOFURANOSYL]THYMINE | Formula: | C17 H19 N2 O8 P | SMILES: | O=C1C(=CN(C(=O)N1)C4OC2C(OC(OC2)(c3ccccc3)P(=O)(O)O)C4)C | InChi: | InChI=1S/C17H19N2O8P/c1-10-8-19(16(21)18-15(10)20)14-7-12-13(26-14)9-25-17(27-12,28(22,23)24)11-5-3-2-4-6-11/h2-6,8,12-14H,7,9H2,1H3,(H,18,20,21)(H2,22,23,24)/t12-,13-,14-,17-/m0/s1 | Synonyms: | DPB-T | Definition date: | 2003-09-17 | Last modified: | 2020-06-17 | Identifier: | 1-{2-deoxy-3,5-O-[phenyl(phosphono)methylidene]-beta-L-threo-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione |
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![5MD 5MD](https://data.pdbj.org/pdbjplus/data/cc/svg/5MD.svg) | 5MD | Name: | 2'-deoxy-1-methyl-pseudouridine | Formula: | C10 H14 N2 O5 | SMILES: | O=C1N(C=C(C(=O)N1)C2OC(CO)C(O)C2)C | InChi: | InChI=1S/C10H14N2O5/c1-12-3-5(9(15)11-10(12)16)7-2-6(14)8(4-13)17-7/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1 | Synonyms: | 5-METHYL-2'-DEOXYPSEUDOURIDINE | Definition date: | 2000-07-26 | Last modified: | 2020-06-17 | Identifier: | (1R)-1,4-anhydro-2-deoxy-1-(1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-D-erythro-pentitol |
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![DR7 DR7](https://data.pdbj.org/pdbjplus/data/cc/svg/DR7.svg) | DR7 | Name: | (3S,8S,9S,12S)-3,12-BIS(1,1-DIMETHYLETHYL)-8-HYDROXY-4,11-DIOXO-9-(PHENYLMETHYL)-6-[[4-(2-PYRIDINYL)PHENYL]METHYL]-2,5,
6,10,13-PENTAAZATETRADECANEDIOIC ACID DIMETHYL ESTER | Formula: | C38 H52 N6 O7 | SMILES: | O=C(OC)NC(C(=O)NC(Cc1ccccc1)C(O)CN(NC(=O)C(NC(=O)OC)C(C)(C)C)Cc3ccc(c2ncccc2)cc3)C(C)(C)C | InChi: | InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1 | Synonyms: | ATAZANAVIR | Definition date: | 2005-09-26 | Last modified: | 2020-06-17 | Identifier: | methyl [(1S,4S,5S,10S)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,7,8,11-tetraazatetradec-1-yl]carbamate (non-preferred name) |
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