![2MC 2MC](https://data.pdbj.org/pdbjplus/data/cc/svg/2MC.svg) | 2MC | Name: | METHACRYLYL-COENZYME A | Formula: | C25 H40 N7 O17 P3 S | SMILES: | O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)C(=C)C | InChi: | InChI=1S/C25H40N7O17P3S/c1-13(2)24(37)53-8-7-27-15(33)5-6-28-22(36)19(35)25(3,4)10-46-52(43,44)49-51(41,42)45-9-14-18(48-50(38,39)40)17(34)23(47-14)32-12-31-16-20(26)29-11-30-21(16)32/h11-12,14,17-19,23,34-35H,1,5-10H2,2-4H3,(H,27,33)(H,28,36)(H,41,42)(H,43,44)(H2,26,29,30)(H2,38,39,40)/t14-,17-,18-,19+,23-/m1/s1 | Definition date: | 2004-01-19 | Last modified: | 2012-01-05 | Identifier: | S-{(9R,13S,15R)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} 2-methylprop-2-enethioate (non-preferred name) |
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![2PF 2PF](https://data.pdbj.org/pdbjplus/data/cc/svg/2PF.svg) | 2PF | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-(pentafluorophenyl)-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate | Formula: | C36 H38 F5 N9 O16 P2 | SMILES: | Cc1cc2N(C[CH](O)[CH](O)[CH](O)CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)C6=NC(=O)NC(=O)[C]67[CH](C[CH](O)N7c2cc1C)c8c(F)c(F)c(F)c(F)c8F | InChi: | InChI=1S/C36H38F5N9O16P2/c1-11-3-14-15(4-12(11)2)50-19(53)5-13(20-21(37)23(39)25(41)24(40)22(20)38)36(50)33(46-35(58)47-34(36)57)48(14)6-16(51)27(54)17(52)7-63-67(59,60)66-68(61,62)64-8-18-28(55)29(56)32(65-18)49-10-45-26-30(42)43-9-44-31(26)49/h3-4,9-10,13,16-19,27-29,32,51-56H,5-8H2,1-2H3,(H,59,60)(H,61,62)(H2,42,43,44)(H,47,57,58)/t13-,16+,17-,18-,19-,27+,28-,29-,32-,36+/m1/s1 | Definition date: | 2010-01-10 | Last modified: | 2012-01-05 |
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![HPX HPX](https://data.pdbj.org/pdbjplus/data/cc/svg/HPX.svg) | HPX | Name: | (2Z,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID | Formula: | C12 H10 O4 | SMILES: | O=C(C=CC=C(/O)C(=O)O)c1ccccc1 | InChi: | InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-8,14H,(H,15,16)/b7-4+,11-8- | Definition date: | 2006-06-29 | Last modified: | 2012-01-05 | Identifier: | (2Z,4E)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid |
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![HSP HSP](https://data.pdbj.org/pdbjplus/data/cc/svg/HSP.svg) | HSP | Name: | 4-(2-HYDROXYPHENYLSULFINYL)-BUTYLPHOSPHONIC ACID | Formula: | C10 H15 O5 P S | SMILES: | O=S(c1ccccc1O)CCCCP(=O)(O)O | InChi: | InChI=1S/C10H15O5PS/c11-9-5-1-2-6-10(9)17(15)8-4-3-7-16(12,13)14/h1-2,5-6,11H,3-4,7-8H2,(H2,12,13,14)/t17-/m1/s1 | Definition date: | 1999-08-30 | Last modified: | 2012-01-05 | Identifier: | {4-[(R)-(2-hydroxyphenyl)sulfinyl]butyl}phosphonic acid |
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![IMP IMP](https://data.pdbj.org/pdbjplus/data/cc/svg/IMP.svg) | IMP | Name: | INOSINIC ACID | Formula: | C10 H13 N4 O8 P | SMILES: | O=C1c2ncn(c2N=CN1)C3OC(C(O)C3O)COP(=O)(O)O | InChi: | InChI=1S/C10H13N4O8P/c15-6-4(1-21-23(18,19)20)22-10(7(6)16)14-3-13-5-8(14)11-2-12-9(5)17/h2-4,6-7,10,15-16H,1H2,(H,11,12,17)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1 | Definition date: | 1999-07-08 | Last modified: | 2012-01-05 | Identifier: | 5'-inosinic acid |
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![AV2 AV2](https://data.pdbj.org/pdbjplus/data/cc/svg/AV2.svg) | AV2 | Name: | ADENOSINE-5'-DIPHOSPHATE-2',3'-VANADATE | Formula: | C10 H14 N5 O12 P2 V | SMILES: | O=[V]1(OC2C(OC(C2O1)COP(=O)(O)OP(=O)(O)O)n3c4ncnc(N)c4nc3)O | InChi: | InChI=1S/C10H13N5O10P2.H2O.O.V/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20 | Definition date: | 2002-08-05 | Last modified: | 2012-01-05 | Identifier: | [adenosinato(2-)-kappa~2~O~2'~,O~3'~](hydroxy)oxovanadium |
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![RZD RZD](https://data.pdbj.org/pdbjplus/data/cc/svg/RZD.svg) | RZD | Name: | (2R)-2-(acetylamino)-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate | Formula: | C20 H29 N4 O6 P | SMILES: | O=P(O)(O)OCC(NC(=O)C)CN3C(C(=O)NCCc2c1ccccc1nc2)CCC3 | InChi: | InChI=1S/C20H29N4O6P/c1-14(25)23-16(13-30-31(27,28)29)12-24-10-4-7-19(24)20(26)21-9-8-15-11-22-18-6-3-2-5-17(15)18/h2-3,5-6,11,16,19,22H,4,7-10,12-13H2,1H3,(H,21,26)(H,23,25)(H2,27,28,29)/t16-,19+/m1/s1 | Definition date: | 2010-07-19 | Last modified: | 2011-12-30 | Identifier: | (2R)-2-(acetylamino)-3-[(2S)-2-{[2-(1H-indol-3-yl)ethyl]carbamoyl}pyrrolidin-1-yl]propyl dihydrogen phosphate |
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![08T 08T](https://data.pdbj.org/pdbjplus/data/cc/svg/08T.svg) | 08T | Name: | [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)beryllium | Formula: | C10 H14 Be F3 N5 O10 P2 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[Be](F)(F)F)[CH](O)[CH]3O | InChi: | InChI=1S/C10H15N5O10P2.Be.3FH/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20 | Definition date: | 2011-10-18 | Last modified: | 2011-12-30 | Identifier: | [[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-tris(fluoranyl)beryllium |
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![S47 S47](https://data.pdbj.org/pdbjplus/data/cc/svg/S47.svg) | S47 | Name: | (3S,4S)-pyrrolidine-3,4-diyl bis(naphthalen-1-ylacetate) | Formula: | C28 H25 N O4 | SMILES: | O=C(OC3C(OC(=O)Cc2c1ccccc1ccc2)CNC3)Cc5c4ccccc4ccc5 | InChi: | InChI=1S/C28H25NO4/c30-27(15-21-11-5-9-19-7-1-3-13-23(19)21)32-25-17-29-18-26(25)33-28(31)16-22-12-6-10-20-8-2-4-14-24(20)22/h1-14,25-26,29H,15-18H2/t25-,26-/m0/s1 | Definition date: | 2011-01-13 | Last modified: | 2011-12-30 | Identifier: | (3S,4S)-pyrrolidine-3,4-diyl bis(naphthalen-1-ylacetate) |
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![12T 12T](https://data.pdbj.org/pdbjplus/data/cc/svg/12T.svg) | 12T | Name: | 2-aminobenzene-1,4-dicarboxylic acid | Formula: | C8 H7 N O4 | SMILES: | O=C(O)c1cc(N)c(C(=O)O)cc1 | InChi: | InChI=1S/C8H7NO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3H,9H2,(H,10,11)(H,12,13) | Definition date: | 2010-12-14 | Last modified: | 2011-12-30 | Identifier: | 2-aminobenzene-1,4-dicarboxylic acid |
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![2LF 2LF](https://data.pdbj.org/pdbjplus/data/cc/svg/2LF.svg) | 2LF | Name: | (6S,7S,8S,10R)-2-amino-8-hydroxy-4-oxo-3,6,7,8,9,10-hexahydro-4H-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate | Formula: | C10 H12 N5 O7 P | SMILES: | O=P(O)(O)OC3c2nc1C(=O)NC(=Nc1n2C4OC3C(O)C4)N | InChi: | InChI=1S/C10H12N5O7P/c11-10-13-7-4(9(17)14-10)12-8-6(22-23(18,19)20)5-2(16)1-3(21-5)15(7)8/h2-3,5-6,16H,1H2,(H2,18,19,20)(H3,11,13,14,17)/t2-,3+,5-,6+/m0/s1 | Definition date: | 2011-07-21 | Last modified: | 2011-12-30 | Identifier: | (6S,7S,8S,10R)-2-amino-8-hydroxy-4-oxo-3,6,7,8,9,10-hexahydro-4H-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate |
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![J1A J1A](https://data.pdbj.org/pdbjplus/data/cc/svg/J1A.svg) | J1A | Name: | 5'-S-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine | Formula: | C24 H32 N12 O4 S | SMILES: | O=C2NC(=Nc1ncc(nc12)CNCCN6CCC(SCC5OC(n4cnc3c(ncnc34)N)C(O)C5O)CC6)N | InChi: | InChI=1S/C24H32N12O4S/c25-19-15-21(30-10-29-19)36(11-31-15)23-18(38)17(37)14(40-23)9-41-13-1-4-35(5-2-13)6-3-27-7-12-8-28-20-16(32-12)22(39)34-24(26)33-20/h8,10-11,13-14,17-18,23,27,37-38H,1-7,9H2,(H2,25,29,30)(H3,26,28,33,34,39)/t14-,17-,18-,23-/m1/s1 | Definition date: | 2011-11-11 | Last modified: | 2011-12-30 | Identifier: | 5'-S-[1-(2-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine |
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![J1B J1B](https://data.pdbj.org/pdbjplus/data/cc/svg/J1B.svg) | J1B | Name: | 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine | Formula: | C26 H38 N12 O4 S | SMILES: | O=C2NC(=NC=1NC(C(=NC=12)CNCCN6CCC(SCC5OC(n4cnc3c(ncnc34)N)C(O)C5O)CC6)(C)C)N | InChi: | InChI=1S/C26H38N12O4S/c1-26(2)15(33-17-21(36-26)34-25(28)35-23(17)41)9-29-5-8-37-6-3-13(4-7-37)43-10-14-18(39)19(40)24(42-14)38-12-32-16-20(27)30-11-31-22(16)38/h11-14,18-19,24,29,39-40H,3-10H2,1-2H3,(H2,27,30,31)(H4,28,34,35,36,41)/t14-,18-,19-,24-/m1/s1 | Definition date: | 2011-11-11 | Last modified: | 2011-12-30 | Identifier: | 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine |
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![J1C J1C](https://data.pdbj.org/pdbjplus/data/cc/svg/J1C.svg) | J1C | Name: | 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine | Formula: | C26 H36 N12 O5 S | SMILES: | O=C2NC(=NC=1NC(C(=NC=12)C(=O)NCCN6CCC(SCC5OC(n4cnc3c(ncnc34)N)C(O)C5O)CC6)(C)C)N | InChi: | InChI=1S/C26H36N12O5S/c1-26(2)18(33-15-20(36-26)34-25(28)35-22(15)41)23(42)29-5-8-37-6-3-12(4-7-37)44-9-13-16(39)17(40)24(43-13)38-11-32-14-19(27)30-10-31-21(14)38/h10-13,16-17,24,39-40H,3-9H2,1-2H3,(H,29,42)(H2,27,30,31)(H4,28,34,35,36,41)/t13-,16-,17-,24-/m1/s1 | Definition date: | 2011-11-11 | Last modified: | 2011-12-30 | Identifier: | 5'-S-[1-(2-{[(2-amino-7,7-dimethyl-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)carbonyl]amino}ethyl)piperidin-4-yl]-5'-thioadenosine |
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![XWG XWG](https://data.pdbj.org/pdbjplus/data/cc/svg/XWG.svg) | XWG | Name: | (3AS,4R,5S,8AS,8BR)-4-[5-(5-CHLOROTHIOPHEN-2-YL)-1,2-OXAZOL-3-YL]-2-[3-[1-(2-HYDROXYETHYL)PYRROLIDIN-1-IUM-1-YL]PROPYL]-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZINE-1,3-DIONE | Formula: | C25 H32 Cl N4 O4 S | SMILES: | OCC[N+]1(CCCC1)CCCN2C(=O)[CH]3[CH]4CCCN4[CH]([CH]3C2=O)c5cc(on5)c6sc(Cl)cc6 | InChi: | InChI=1S/C25H32ClN4O4S/c26-20-7-6-19(35-20)18-15-16(27-34-18)23-22-21(17-5-3-8-28(17)23)24(32)29(25(22)33)9-4-12-30(13-14-31)10-1-2-11-30/h6-7,15,17,21-23,31H,1-5,8-14H2/q+1/t17-,21-,22-,23-/m0/s1 | Definition date: | 2011-01-13 | Last modified: | 2011-12-23 | Identifier: | (3aS,4R,5S,8aS,8bR)-4-[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]-2-[3-[1-(2-hydroxyethyl)pyrrolidin-1-ium-1-yl]propyl]-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizine-1,3-dione |
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![NX1 NX1](https://data.pdbj.org/pdbjplus/data/cc/svg/NX1.svg) | NX1 | Name: | 3-[(3-bromo-4-chlorobenzyl)sulfanyl]thiophene-2-carboxylic acid | Formula: | C12 H8 Br Cl O2 S2 | SMILES: | O=C(O)c2sccc2SCc1cc(Br)c(Cl)cc1 | InChi: | InChI=1S/C12H8BrClO2S2/c13-8-5-7(1-2-9(8)14)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16) | Definition date: | 2011-01-21 | Last modified: | 2011-12-23 | Identifier: | 3-[(3-bromo-4-chlorobenzyl)sulfanyl]thiophene-2-carboxylic acid |
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![NX3 NX3](https://data.pdbj.org/pdbjplus/data/cc/svg/NX3.svg) | NX3 | Name: | N-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide | Formula: | C18 H14 Cl2 N2 O3 S3 | SMILES: | O=S(=O)(c1cc(N)ccc1)NC(=O)c3sccc3SCc2cc(Cl)c(Cl)cc2 | InChi: | InChI=1S/C18H14Cl2N2O3S3/c19-14-5-4-11(8-15(14)20)10-27-16-6-7-26-17(16)18(23)22-28(24,25)13-3-1-2-12(21)9-13/h1-9H,10,21H2,(H,22,23) | Definition date: | 2011-01-24 | Last modified: | 2011-12-23 | Identifier: | N-[(3-aminophenyl)sulfonyl]-3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxamide |
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![NX5 NX5](https://data.pdbj.org/pdbjplus/data/cc/svg/NX5.svg) | NX5 | Name: | 2-[(3,4-dichlorobenzyl)sulfanyl]benzoic acid | Formula: | C14 H10 Cl2 O2 S | SMILES: | Clc1ccc(cc1Cl)CSc2ccccc2C(=O)O | InChi: | InChI=1S/C14H10Cl2O2S/c15-11-6-5-9(7-12(11)16)8-19-13-4-2-1-3-10(13)14(17)18/h1-7H,8H2,(H,17,18) | Definition date: | 2011-01-24 | Last modified: | 2011-12-23 | Identifier: | 2-[(3,4-dichlorobenzyl)sulfanyl]benzoic acid |
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![NXY NXY](https://data.pdbj.org/pdbjplus/data/cc/svg/NXY.svg) | NXY | Name: | 3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxylic acid | Formula: | C12 H8 Cl2 O2 S2 | SMILES: | O=C(O)c2sccc2SCc1cc(Cl)c(Cl)cc1 | InChi: | InChI=1S/C12H8Cl2O2S2/c13-8-2-1-7(5-9(8)14)6-18-10-3-4-17-11(10)12(15)16/h1-5H,6H2,(H,15,16) | Definition date: | 2011-01-20 | Last modified: | 2011-12-23 | Identifier: | 3-[(3,4-dichlorobenzyl)sulfanyl]thiophene-2-carboxylic acid |
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![Y5H Y5H](https://data.pdbj.org/pdbjplus/data/cc/svg/Y5H.svg) | Y5H | Name: | 3-[(3AS,4R,5S,8AS,8BR)-4-[2-(5-CHLOROTHIOPHEN-2-YL)-1,3-OXAZOL-4-YL]-1,3-DIOXO-4,6,7,8,8A,8B-HEXAHYDRO-3AH-PYRROLO[3,4-A]PYRROLIZIN-2-YL]PROPYL-TRIMETHYL-AZANIUM | Formula: | C22 H28 Cl N4 O3 S | SMILES: | C[N+](C)(C)CCCN1C(=O)[CH]2[CH]3CCCN3[CH]([CH]2C1=O)c4coc(n4)c5sc(Cl)cc5 | InChi: | InChI=1S/C22H28ClN4O3S/c1-27(2,3)11-5-10-26-21(28)17-14-6-4-9-25(14)19(18(17)22(26)29)13-12-30-20(24-13)15-7-8-16(23)31-15/h7-8,12,14,17-19H,4-6,9-11H2,1-3H3/q+1/t14-,17-,18-,19-/m0/s1 | Definition date: | 2011-01-13 | Last modified: | 2011-12-23 | Identifier: | 3-[(3aS,4R,5S,8aS,8bR)-4-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-4-yl]-1,3-dioxo-4,6,7,8,8a,8b-hexahydro-3aH-pyrrolo[3,4-a]pyrrolizin-2-yl]propyl-trimethyl-azanium |
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![VHI VHI](https://data.pdbj.org/pdbjplus/data/cc/svg/VHI.svg) | VHI | Name: | 5-{(3aS,4S,6aR)-1-[(benzyloxy)carbonyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid | Formula: | C18 H22 N2 O5 S | SMILES: | O=C(O)CCCCC2SCC3N(C(=O)OCc1ccccc1)C(=O)NC23 | InChi: | InChI=1S/C18H22N2O5S/c21-15(22)9-5-4-8-14-16-13(11-26-14)20(17(23)19-16)18(24)25-10-12-6-2-1-3-7-12/h1-3,6-7,13-14,16H,4-5,8-11H2,(H,19,23)(H,21,22)/t13-,14-,16-/m0/s1 | Definition date: | 2011-09-09 | Last modified: | 2011-12-23 | Identifier: | 5-{(3aS,4S,6aR)-1-[(benzyloxy)carbonyl]-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl}pentanoic acid |
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![T26 T26](https://data.pdbj.org/pdbjplus/data/cc/svg/T26.svg) | T26 | Name: | (2R)-2-[[3-[[4-[(Z)-(4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]PHENYL]METHYLAMINO]PHENYL]CARBONYLAMINO]PENTANEDIOIC ACID | Formula: | C23 H21 N3 O6 S2 | SMILES: | OC(=O)CC[CH](NC(=O)c1cccc(NCc2ccc(cc2)C=C3SC(=S)NC3=O)c1)C(O)=O | InChi: | InChI=1S/C23H21N3O6S2/c27-19(28)9-8-17(22(31)32)25-20(29)15-2-1-3-16(11-15)24-12-14-6-4-13(5-7-14)10-18-21(30)26-23(33)34-18/h1-7,10-11,17,24H,8-9,12H2,(H,25,29)(H,27,28)(H,31,32)(H,26,30,33)/b18-10-/t17-/m1/s1 | Definition date: | 2010-12-09 | Last modified: | 2011-12-23 | Identifier: | (2R)-2-[[3-[[4-[(Z)-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl]methylamino]phenyl]carbonylamino]pentanedioic acid |
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![KOP KOP](https://data.pdbj.org/pdbjplus/data/cc/svg/KOP.svg) | KOP | Name: | methyl dihydrogen phosphate | Formula: | C H5 O4 P | SMILES: | O=P(OC)(O)O | InChi: | InChI=1S/CH5O4P/c1-5-6(2,3)4/h1H3,(H2,2,3,4) | Definition date: | 2011-01-06 | Last modified: | 2011-12-23 | Identifier: | methyl dihydrogen phosphate |
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![LD1 LD1](https://data.pdbj.org/pdbjplus/data/cc/svg/LD1.svg) | LD1 | Name: | 6-[(7S)-7-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1,4-benzoxazin-3(4H)-one | Formula: | C18 H13 N5 O2 S | SMILES: | O=C1Nc5c(OC1)ccc(C2=Nn4cnnc4SC2c3ccccc3)c5 | InChi: | InChI=1S/C18H13N5O2S/c24-15-9-25-14-7-6-12(8-13(14)20-15)16-17(11-4-2-1-3-5-11)26-18-21-19-10-23(18)22-16/h1-8,10,17H,9H2,(H,20,24)/t17-/m0/s1 | Definition date: | 2011-09-27 | Last modified: | 2011-12-23 | Identifier: | 6-[(7S)-7-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-2H-1,4-benzoxazin-3(4H)-one |
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![CA0 CA0](https://data.pdbj.org/pdbjplus/data/cc/svg/CA0.svg) | CA0 | Name: | 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine | Formula: | C11 H15 N6 O8 P | SMILES: | O=P(OC(=O)N)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | InChi: | InChI=1S/C11H15N6O8P/c12-8-5-9(15-2-14-8)17(3-16-5)10-7(19)6(18)4(24-10)1-23-26(21,22)25-11(13)20/h2-4,6-7,10,18-19H,1H2,(H2,13,20)(H,21,22)(H2,12,14,15)/t4-,6-,7-,10-/m1/s1 | Definition date: | 2011-09-20 | Last modified: | 2011-12-23 | Identifier: | 5'-O-[(S)-(carbamoyloxy)(hydroxy)phosphoryl]adenosine |
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