![A0B A0B](https://data.pdbj.org/pdbjplus/data/cc/svg/A0B.svg) | A0B | Name: | Phloxine B | Formula: | C20 H3 Br4 Cl4 O5 | SMILES: | OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C2=C3C=C(Br)C(=O)C(=C3Oc4c(Br)c([O-])c(Br)cc24)Br | InChi: | InChI=1S/C20H4Br4Cl4O5/c21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29/h1-2,29H,(H,31,32)/p-1 | Synonyms: | Cyanosine | Definition date: | 2017-08-08 | Last modified: | 2020-06-17 | Release date: | 2018-03-07 | Identifier: | 2,4,5,7-tetrakis(bromanyl)-9-[2-carboxy-3,4,5,6-tetrakis(chloranyl)phenyl]-6-oxidanylidene-xanthen-3-olate |
|
![A12 A12](https://data.pdbj.org/pdbjplus/data/cc/svg/A12.svg) | A12 | Name: | PHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER | Formula: | C11 H17 N5 O9 P2 | SMILES: | O=P(O)(O)CP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | InChi: | InChI=1S/C11H17N5O9P2/c12-9-6-10(14-2-13-9)16(3-15-6)11-8(18)7(17)5(25-11)1-24-27(22,23)4-26(19,20)21/h2-3,5,7-8,11,17-18H,1,4H2,(H,22,23)(H2,12,13,14)(H2,19,20,21)/t5-,7-,8-,11-/m1/s1 | Synonyms: | ALPHA,BETA-METHYLENEADENOSINE-5'-DIPHOSPHATE | Definition date: | 2000-12-15 | Last modified: | 2020-06-17 | Identifier: | 5'-O-[(S)-hydroxy(phosphonomethyl)phosphoryl]adenosine |
|
![A1S A1S](https://data.pdbj.org/pdbjplus/data/cc/svg/A1S.svg) | A1S | Name: | isopentyl-Coenzyme A | Formula: | C26 H46 N7 O16 P3 S | SMILES: | C(SCCNC(CCNC(C(C(COP(OP(OCC3C(OP(O)(O)=O)C(O)C(n1cnc2c(ncnc12)N)O3)(O)=O)(O)=O)(C)C)O)=O)=O)CC(C)C | InChi: | InChI=1S/C26H46N7O16P3S/c1-15(2)6-9-53-10-8-28-17(34)5-7-29-24(37)21(36)26(3,4)12-46-52(43,44)49-51(41,42)45-11-16-20(48-50(38,39)40)19(35)25(47-16)33-14-32-18-22(27)30-13-31-23(18)33/h13-16,19-21,25,35-36H,5-12H2,1-4H3,(H,28,34)(H,29,37)(H,41,42)(H,43,44)(H2,27,30,31)(H2,38,39,40)/t16-,19-,20-,21+,25-/m1/s1 | Synonyms: | isopentyl-CoA | Definition date: | 2017-07-05 | Last modified: | 2020-06-17 | Release date: | 2017-08-23 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbutyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl dihydrogen diphosphate (non-preferred name) |
|
![A1Z A1Z](https://data.pdbj.org/pdbjplus/data/cc/svg/A1Z.svg) | A1Z | Name: | Vadadustat | Formula: | C14 H11 Cl N2 O4 | SMILES: | OC(=O)CNC(=O)c1ncc(cc1O)c2cccc(Cl)c2 | InChi: | InChI=1S/C14H11ClN2O4/c15-10-3-1-2-8(4-10)9-5-11(18)13(16-6-9)14(21)17-7-12(19)20/h1-6,18H,7H2,(H,17,21)(H,19,20) | Synonyms: | GSK128863 | Definition date: | 2017-08-09 | Last modified: | 2020-06-17 | Release date: | 2017-10-18 | Identifier: | 2-[[5-(3-chlorophenyl)-3-oxidanyl-pyridin-2-yl]carbonylamino]ethanoic acid |
|
![A22 A22](https://data.pdbj.org/pdbjplus/data/cc/svg/A22.svg) | A22 | Name: | [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL
[(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE | Formula: | C20 H27 N10 O16 P3 | SMILES: | O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(OP(=O)(O)O)C6O | InChi: | InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-48(37,38)46-49(39,40)42-2-8-12(32)14(45-47(34,35)36)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-33H,1-2H2,(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)(H2,34,35,36)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1 | Synonyms: | 2'-PHOSPHATE BIS(ADENOSINE)-5'-DIPHOSPHATE | Definition date: | 2006-10-25 | Last modified: | 2020-06-17 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
|
![A3S A3S](https://data.pdbj.org/pdbjplus/data/cc/svg/A3S.svg) | A3S | Name: | SERINE-3'-AMINOADENOSINE | Formula: | C13 H19 N7 O5 | SMILES: | O=C(NC3C(OC(n2cnc1c(ncnc12)N)C3O)CO)C(N)CO | InChi: | InChI=1S/C13H19N7O5/c14-5(1-21)12(24)19-7-6(2-22)25-13(9(7)23)20-4-18-8-10(15)16-3-17-11(8)20/h3-7,9,13,21-23H,1-2,14H2,(H,19,24)(H2,15,16,17)/t5-,6+,7+,9+,13+/m0/s1 | Synonyms: | N'-L-SERYL-3'-AMINO-(3'-DEOXY)-ADENOSINE | Definition date: | 2004-06-24 | Last modified: | 2020-06-17 | Identifier: | 3'-deoxy-3'-(L-serylamino)adenosine |
|
![A4A A4A](https://data.pdbj.org/pdbjplus/data/cc/svg/A4A.svg) | A4A | Name: | [1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6H)-one | Formula: | C16 H9 N O3 | SMILES: | O=C3Nc4c2c(c1OCOc1cc23)c5c(c4)cccc5 | InChi: | InChI=1S/C16H9NO3/c18-16-10-6-12-15(20-7-19-12)14-9-4-2-1-3-8(9)5-11(17-16)13(10)14/h1-6H,7H2,(H,17,18) | Synonyms: | Aristolactam II | Definition date: | 2011-08-03 | Last modified: | 2020-06-17 | Identifier: | [1,3]benzodioxolo[6,5,4-cd]benzo[f]indol-5(6H)-one |
|
![A4F A4F](https://data.pdbj.org/pdbjplus/data/cc/svg/A4F.svg) | A4F | Name: | 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid | Formula: | C20 H13 N O5 | SMILES: | OC(c1cc(N)ccc1C2=C4C=CC(C=C4Oc3c2ccc(c3)O)=O)=O | InChi: | InChI=1S/C20H13NO5/c21-10-1-4-13(16(7-10)20(24)25)19-14-5-2-11(22)8-17(14)26-18-9-12(23)3-6-15(18)19/h1-9,22H,21H2,(H,24,25) | Synonyms: | 5-aminofluorescein | Definition date: | 2015-05-20 | Last modified: | 2020-06-17 | Release date: | 2015-11-04 | Identifier: | 5-amino-2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)benzoic acid |
|
![A4S A4S](https://data.pdbj.org/pdbjplus/data/cc/svg/A4S.svg) | A4S | Name: | (2E,6E)-3,7-dimethyl-8-(phenylamino)octa-2,6-dien-1-yl trihydrogen diphosphate | Formula: | C16 H25 N O7 P2 | SMILES: | O=P(O)(O)OP(=O)(O)OC/C=C(C)CC/C=C(/CNc1ccccc1)C | InChi: | InChI=1S/C16H25NO7P2/c1-14(11-12-23-26(21,22)24-25(18,19)20)7-6-8-15(2)13-17-16-9-4-3-5-10-16/h3-5,8-11,17H,6-7,12-13H2,1-2H3,(H,21,22)(H2,18,19,20)/b14-11+,15-8+ | Synonyms: | anilinogeranyl diphosphate | Definition date: | 2014-11-04 | Last modified: | 2020-06-17 | Release date: | 2015-05-06 | Identifier: | (2E,6E)-3,7-dimethyl-8-(phenylamino)octa-2,6-dien-1-yl trihydrogen diphosphate |
|
![A54 A54](https://data.pdbj.org/pdbjplus/data/cc/svg/A54.svg) | A54 | Name: | 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile | Formula: | C16 H15 Cl N2 O | SMILES: | NCC[CH](Oc1cc(Cl)ccc1C#N)c2ccccc2 | InChi: | InChI=1S/C16H15ClN2O/c17-14-7-6-13(11-19)16(10-14)20-15(8-9-18)12-4-2-1-3-5-12/h1-7,10,15H,8-9,18H2/t15-/m1/s1 | Synonyms: | AR-C141954 | Definition date: | 2010-12-19 | Last modified: | 2020-06-17 | Identifier: | 2-[(1R)-3-amino-1-phenyl-propoxy]-4-chloro-benzonitrile |
|
![A5F A5F](https://data.pdbj.org/pdbjplus/data/cc/svg/A5F.svg) | A5F | Name: | N-[(2S)-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1R,2R)-2-(hydroxymethyl)cyclopropyl]buta
-1,3-diynyl]benzamide | Formula: | C20 H23 N3 O4 | SMILES: | CC(C)(N)[CH](NC(=O)c1ccc(cc1)C#CC#C[CH]2C[CH]2CO)C(=O)NO | InChi: | InChI=1S/C20H23N3O4/c1-20(2,21)17(19(26)23-27)22-18(25)14-9-7-13(8-10-14)5-3-4-6-15-11-16(15)12-24/h7-10,15-17,24,27H,11-12,21H2,1-2H3,(H,22,25)(H,23,26)/t15-,16+,17-/m1/s1 | Synonyms: | ACHN-975 | Definition date: | 2018-10-02 | Last modified: | 2020-06-17 | Release date: | 2019-01-30 | Identifier: | ~{N}-[(2~{S})-3-azanyl-3-methyl-1-(oxidanylamino)-1-oxidanylidene-butan-2-yl]-4-[4-[(1~{R},2~{R})-2-(hydroxymethyl)cyclopropyl]buta-1,3-diynyl]benzamide |
|
![A5L A5L](https://data.pdbj.org/pdbjplus/data/cc/svg/A5L.svg) | A5L | Name: | 9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine | Formula: | C10 H13 F N5 O6 P | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(F)C3O | InChi: | InChI=1S/C10H13FN5O6P/c11-5-7(17)4(1-21-23(18,19)20)22-10(5)16-3-15-6-8(12)13-2-14-9(6)16/h2-5,7,10,17H,1H2,(H2,12,13,14)(H2,18,19,20)/t4-,5+,7-,10-/m1/s1 | Synonyms: | 2'-DEOXY-2'-FLUORO-ARABINO-FURANOSYL ADENINE-5'-PHOSPHATE | Definition date: | 2009-10-21 | Last modified: | 2020-06-17 | Identifier: | 9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-9H-purin-6-amine |
|
![A6G A6G](https://data.pdbj.org/pdbjplus/data/cc/svg/A6G.svg) | A6G | Name: | 2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol | Formula: | C11 H16 N5 O8 P | SMILES: | O=P(O)(O)OCC3OCC(n2cnc1c2N=C(N)NC1=O)C(O)C3O | InChi: | InChI=1S/C11H16N5O8P/c12-11-14-9-6(10(19)15-11)13-3-16(9)4-1-23-5(8(18)7(4)17)2-24-25(20,21)22/h3-5,7-8,17-18H,1-2H2,(H2,20,21,22)(H3,12,14,15,19)/t4-,5-,7+,8-/m1/s1 | Synonyms: | ((2R,3S,4S,5R)-5-(2-amino-6-oxo-1H-purin-9(6H)-yl)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate | Definition date: | 2010-08-26 | Last modified: | 2020-06-17 | Identifier: | 2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol |
|
![A6L A6L](https://data.pdbj.org/pdbjplus/data/cc/svg/A6L.svg) | A6L | Name: | 2,3-dihydroxypropyl (9Z)-octadec-9-enoate | Formula: | C21 H40 O4 | SMILES: | C(C(OCC(CO)O)=O)CCCCCCC=C/CCCCCCCC | InChi: | InChI=1S/C21H40O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h9-10,20,22-23H,2-8,11-19H2,1H3/b10-9- | Synonyms: | monoolein | Definition date: | 2018-10-02 | Last modified: | 2020-06-17 | Release date: | 2019-02-13 | Identifier: | 2,3-dihydroxypropyl (9Z)-octadec-9-enoate |
|
![A7S A7S](https://data.pdbj.org/pdbjplus/data/cc/svg/A7S.svg) | A7S | Name: | 1-(3-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide | Formula: | C20 H23 F N2 O3 S | SMILES: | c1(cc(F)c(C)cc1)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O | InChi: | InChI=1S/C20H23FN2O3S/c1-3-10-23-19-8-7-17(12-16(19)6-9-20(23)24)22-27(25,26)13-15-5-4-14(2)18(21)11-15/h4-5,7-8,11-12,22H,3,6,9-10,13H2,1-2H3 | Synonyms: | AMF1beta | Definition date: | 2017-07-10 | Last modified: | 2020-06-17 | Release date: | 2017-11-15 | Identifier: | 1-(3-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide |
|
![A86 A86](https://data.pdbj.org/pdbjplus/data/cc/svg/A86.svg) | A86 | Name: | (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-
yl acetate | Formula: | C42 H58 O6 | SMILES: | CC(=C/C=C/C=C(/C=C/C=C(C)C(=O)CC12C(C)(CC(O)CC1(C)O2)C)C)[C@H]=C[C@H]=C([C@H]=C=C3C(C)(C)CC(CC3(O)C)OC(=O)C)C | InChi: | InChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23-,34-,35-,40+,41+,42-/m0/s1 | Synonyms: | Fucoxanthin | Definition date: | 2018-10-17 | Last modified: | 2020-06-17 | Release date: | 2019-02-06 | Identifier: | (3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate |
|
![A8W A8W](https://data.pdbj.org/pdbjplus/data/cc/svg/A8W.svg) | A8W | Name: | Pregnenolone sulfate | Formula: | C21 H32 O5 S | SMILES: | CC(=O)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)O[S](O)(=O)=O | InChi: | InChI=1S/C21H32O5S/c1-13(22)17-6-7-18-16-5-4-14-12-15(26-27(23,24)25)8-10-20(14,2)19(16)9-11-21(17,18)3/h4,15-19H,5-12H2,1-3H3,(H,23,24,25)/t15-,16-,17+,18-,19-,20-,21+/m0/s1 | Synonyms: | pregn-5-en-3beta-ol-20-one-3beta-sulfate | Definition date: | 2017-08-17 | Last modified: | 2020-06-17 | Release date: | 2017-10-11 | Identifier: | [(3~{S},8~{S},9~{S},10~{R},13~{S},14~{S},17~{S})-17-ethanoyl-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1~{H}-cyclopenta[a]phenanthren-3-yl] hydrogen sulfate |
|
![A8X A8X](https://data.pdbj.org/pdbjplus/data/cc/svg/A8X.svg) | A8X | Name: | 3-[(3R)-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid | Formula: | C21 H21 F N2 O4 S | SMILES: | OC(=O)CCn1c2CC[CH](Cc2c3ccccc13)N[S](=O)(=O)c4ccc(F)cc4 | InChi: | InChI=1S/C21H21FN2O4S/c22-14-5-8-16(9-6-14)29(27,28)23-15-7-10-20-18(13-15)17-3-1-2-4-19(17)24(20)12-11-21(25)26/h1-6,8-9,15,23H,7,10-13H2,(H,25,26)/t15-/m1/s1 | Synonyms: | Ramatroban | Definition date: | 2018-10-23 | Last modified: | 2020-06-17 | Release date: | 2018-12-19 | Identifier: | 3-[(3~{R})-3-[(4-fluorophenyl)sulfonylamino]-1,2,3,4-tetrahydrocarbazol-9-yl]propanoic acid |
|
![A90 A90](https://data.pdbj.org/pdbjplus/data/cc/svg/A90.svg) | A90 | Name: | 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid | Formula: | C16 H16 Cl N O4 S | SMILES: | OC(=O)Cc1ccc(CCN[S](=O)(=O)c2ccc(Cl)cc2)cc1 | InChi: | InChI=1S/C16H16ClNO4S/c17-14-5-7-15(8-6-14)23(21,22)18-10-9-12-1-3-13(4-2-12)11-16(19)20/h1-8,18H,9-11H2,(H,19,20) | Synonyms: | Daltroban | Definition date: | 2018-10-23 | Last modified: | 2020-06-17 | Release date: | 2018-12-19 | Identifier: | 2-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]ethanoic acid |
|
![AAB AAB](https://data.pdbj.org/pdbjplus/data/cc/svg/AAB.svg) | AAB | Name: | 2'-DEOXY-RIBOFURANOSE-5'-MONOPHOSPHATE | Formula: | C5 H11 O7 P | SMILES: | O=P(OCC1OC(O)CC1O)(O)O | InChi: | InChI=1S/C5H11O7P/c6-3-1-5(7)12-4(3)2-11-13(8,9)10/h3-7H,1-2H2,(H2,8,9,10)/t3-,4+,5+/m0/s1 | Synonyms: | ABASIC DEOXYRIBOSE | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | 2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranose |
|
![ABV ABV](https://data.pdbj.org/pdbjplus/data/cc/svg/ABV.svg) | ABV | Name: | 1,3-benzothiazol-2-amine | Formula: | C7 H6 N2 S | SMILES: | n1c2ccccc2sc1N | InChi: | InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9) | Synonyms: | 2-Aminobenzothiazole | Definition date: | 2010-04-12 | Last modified: | 2020-06-17 | Identifier: | 1,3-benzothiazol-2-amine |
|
![ACZ ACZ](https://data.pdbj.org/pdbjplus/data/cc/svg/ACZ.svg) | ACZ | Name: | CIS-AMICLENOMYCIN | Formula: | C10 H16 N2 O2 | SMILES: | O=C(O)C(N)CCC1C=CC(N)C=C1 | InChi: | InChI=1S/C10H16N2O2/c11-8-4-1-7(2-5-8)3-6-9(12)10(13)14/h1-2,4-5,7-9H,3,6,11-12H2,(H,13,14)/t7-,8?,9-/m0/s1 | Synonyms: | 2-AMINO-4-(4-AMINO-CYCLOHEXA-2,5-DIENYL)-BUTYRIC ACID | Definition date: | 2002-09-05 | Last modified: | 2020-06-17 | Identifier: | (2S)-2-amino-4-(trans-4-aminocyclohexa-2,5-dien-1-yl)butanoic acid |
|
![ADJ ADJ](https://data.pdbj.org/pdbjplus/data/cc/svg/ADJ.svg) | ADJ | Name: | NICOTINAMIDE-ADENINE-DINUCLEOTIDE-ADENYLATE INTERMEDIATE | Formula: | C31 H44 N11 O21 P3 | SMILES: | Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[CH](O)C4=CCCN(C4)[CH]5O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]6O[CH]([CH](O)[CH]6O)n7cnc8c(N)ncnc78)[CH](O)[CH]5O)[CH](O)[CH]3O | InChi: | InChI=1S/C31H44N11O21P3/c32-24-16-26(36-8-34-24)41(10-38-16)29-22(47)19(44)14(60-29)5-56-64(50,51)62-31(49)12-2-1-3-40(4-12)28-21(46)18(43)13(59-28)6-57-65(52,53)63-66(54,55)58-7-15-20(45)23(48)30(61-15)42-11-39-17-25(33)35-9-37-27(17)42/h2,8-11,13-15,18-23,28-31,43-49H,1,3-7H2,(H,50,51)(H,52,53)(H,54,55)(H2,32,34,36)(H2,33,35,37)/t13-,14-,15-,18-,19-,20-,21-,22-,23-,28-,29-,30-,31?/m1/s1 | Synonyms: | NADP-A | Definition date: | 2002-01-28 | Last modified: | 2020-06-17 | Identifier: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] [(2R,3S,4R,5R)-5-[3-[[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-methyl]-5,6-dihydro-2H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl hydrogen phosphate |
|
![ADQ ADQ](https://data.pdbj.org/pdbjplus/data/cc/svg/ADQ.svg) | ADQ | Name: | ADENOSINE-5'-DIPHOSPHATE-GLUCOSE | Formula: | C16 H25 N5 O15 P2 | SMILES: | O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O | InChi: | InChI=1S/C16H25N5O15P2/c17-13-7-14(19-3-18-13)21(4-20-7)15-11(26)9(24)6(33-15)2-32-37(28,29)36-38(30,31)35-16-12(27)10(25)8(23)5(1-22)34-16/h3-6,8-12,15-16,22-27H,1-2H2,(H,28,29)(H,30,31)(H2,17,18,19)/t5-,6-,8-,9-,10+,11-,12-,15-,16-/m1/s1 | Synonyms: | ADENOSINE-5'-MONOPHOSPHATE GLUCOPYRANOSYL-MONOPHOSPHATE ESTER | Definition date: | 2000-04-06 | Last modified: | 2020-06-17 | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
|
![0VR 0VR](https://data.pdbj.org/pdbjplus/data/cc/svg/0VR.svg) | 0VR | Name: | 1-(O-carboxy-phenylamino)-1-deoxy-D-ribulose-5-phosphate | Formula: | C12 H18 N O9 P | SMILES: | O=P(O)(O)OCC(O)C(O)C(O)CNc1ccccc1C(=O)O | InChi: | InChI=1S/C12H18NO9P/c14-9(11(16)10(15)6-22-23(19,20)21)5-13-8-4-2-1-3-7(8)12(17)18/h1-4,9-11,13-16H,5-6H2,(H,17,18)(H2,19,20,21)/t9-,10+,11-/m0/s1 | Synonyms: | 1-[(2-carboxyphenyl)amino]-1-deoxy-5-O-phosphono-D-ribitol | Definition date: | 2012-07-13 | Last modified: | 2020-06-17 | Release date: | 2012-11-30 | Identifier: | 1-[(2-carboxyphenyl)amino]-1-deoxy-5-O-phosphono-D-ribitol |
|