 | | BMG | | Name: | (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-meth
yl-4,5-dihydro-1H-pyrrole-2-carboxylate | | Formula: | C15 H20 N4 O4 S | | SMILES: | O=CC(C(O)C)C3NC(C([O-])=O)=C(SC2C[n+]1cncn1C2)C3C | | InChi: | InChI=1S/C15H20N4O4S/c1-8-12(11(5-20)9(2)21)17-13(15(22)23)14(8)24-10-3-18-6-16-7-19(18)4-10/h5-12,17,21H,3-4H2,1-2H3/t8-,9-,11-,12-/m1/s1 | | Synonyms: | (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylthio)-5-((2S,3R)-3-hydroxy-1-oxobutan-2-yl)-4-
methyl-4,5-dihydro-1H-pyrrole-2-carboxylate | | Definition date: | 2007-11-05 | | Last modified: | 2020-06-17 | | Identifier: | (4R,5S)-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-4-methyl-4,5-dihydro-1H-pyrrole-2-carboxylate |
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 | | BMH | | Name: | 5H-PYRAZOLO(1,2-A)(1,2,4)TRIAZOL-4-IUM,
6-((2-CARBOXY-6-(1-HYDROXYETHYL)-4-METHYL-7-OXO-1-AZABICYCLO(3.2.0)HEPT-2-EN-3-YL)THIO)-6,7-DIHYDRO-, HYDROXIDE, INNER
SALT, (4R-(4ALPHA,5BETA,6BETA(R*)))- | | Formula: | C15 H22 N4 O5 S | | SMILES: | O=C(O)C(C(O)C)C3NC(=C(SC2C[n+]1cncn1C2)C3C)C([O-])O | | InChi: | InChI=1S/C15H22N4O5S/c1-7-11(10(8(2)20)14(21)22)17-12(15(23)24)13(7)25-9-3-18-5-16-6-19(18)4-9/h5-11,15,17,20,23H,3-4H2,1-2H3,(H,21,22)/t7-,8-,10-,11-,15-/m1/s1 | | Synonyms: | BIAPENEM (HYDLYZED) | | Definition date: | 2004-08-25 | | Last modified: | 2020-06-17 | | Identifier: | (S)-[(4R,5S)-5-[(1S,2R)-1-carboxy-2-hydroxypropyl]-3-(6,7-dihydro-5H-pyrazolo[1,2-a][1,2,4]triazol-4-ium-6-ylsulfanyl)-4-methyl-4,5-dihydro-1H-pyrrol-2-yl](hydroxy)methanolate |
|
 | | TSV | | Name: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8
,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate | | Formula: | C35 H44 F N5 O9 S | | SMILES: | O=S(=O)(NC(=O)C12NC(=O)C5N(C(=O)C(NC(=O)OC(C)(C)C)CCCCCC=CC2C1)CC(OC(=O)n4cc3cccc(F)c3c4)C5)C6CC6 | | InChi: | InChI=1S/C35H44FN5O9S/c1-34(2,3)50-32(45)37-27-13-8-6-4-5-7-11-22-17-35(22,31(44)39-51(47,48)24-14-15-24)38-29(42)28-16-23(19-41(28)30(27)43)49-33(46)40-18-21-10-9-12-26(36)25(21)20-40/h7,9-12,18,20,22-24,27-28H,4-6,8,13-17,19H2,1-3H3,(H,37,45)(H,38,42)(H,39,44)/b11-7-/t22-,23-,27+,28+,35-/m1/s1 | | Synonyms: | ITMN-191 | | Definition date: | 2010-04-21 | | Last modified: | 2020-06-17 | | Identifier: | (2R,6S,12Z,13aS,14aR,16aS)-6-[(tert-butoxycarbonyl)amino]-14a-[(cyclopropylsulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-2-yl 4-fluoro-2H-isoindole-2-carboxylate |
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 | | TT8 | | Name: | (2S)-2-azanyl-4-[[(2S,3S,4R,5R)-5-[6-(methylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic
acid | | Formula: | C15 H22 N6 O5 S | | SMILES: | O=C(O)C(N)CCSCC3OC(n2cnc1c(ncnc12)NC)C(O)C3O | | InChi: | InChI=1S/C15H22N6O5S/c1-17-12-9-13(19-5-18-12)21(6-20-9)14-11(23)10(22)8(26-14)4-27-3-2-7(16)15(24)25/h5-8,10-11,14,22-23H,2-4,16H2,1H3,(H,24,25)(H,17,18,19)/t7-,8+,10+,11+,14+/m0/s1 | | Synonyms: | S-(N6-Methyladenosyl)-L-homocysteine | | Definition date: | 2011-07-13 | | Last modified: | 2020-06-17 | | Identifier: | (2S)-2-amino-4-[({(2S,3S,4R,5R)-3,4-dihydroxy-5-[6-(methylamino)-9H-purin-9-yl]tetrahydrofuran-2-yl}methyl)sulfanyl]butanoic acid (non-preferred name) |
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 | | TUD | | Name: | TAUROCHENODEOXYCHOLIC ACID | | Formula: | C26 H45 N O6 S | | SMILES: | O=S(=O)(O)CCNC(=O)CCC(C4C3(C(C1C(C2(C(CC1O)CC(O)CC2)C)CC3)CC4)C)C | | InChi: | InChI=1S/C26H45NO6S/c1-16(4-7-23(30)27-12-13-34(31,32)33)19-5-6-20-24-21(9-11-26(19,20)3)25(2)10-8-18(28)14-17(25)15-22(24)29/h16-22,24,28-29H,4-15H2,1-3H3,(H,27,30)(H,31,32,33)/t16-,17+,18-,19-,20+,21+,22-,24+,25+,26-/m1/s1 | | Synonyms: | 2-(((3ALPHA,5BETA,7ALPHA)-3,7-DIHYDROXY-24-OXOCHOLAN-24-YL)AMINO)ETHANESULFONIC ACID | | Definition date: | 2005-09-22 | | Last modified: | 2020-06-17 | | Identifier: | 2-{[(3beta,5beta,7alpha,14beta,17alpha)-3,7-dihydroxy-24-oxocholan-24-yl]amino}ethanesulfonic acid |
|
 | | BPL | | Name: | 1-BENZO[A]PYREN-6-YL-3-METHYL-UREA | | Formula: | C22 H16 N2 O | | SMILES: | O=C(NC)Nc4c5c(c1ccc3c2c1c4ccc2ccc3)cccc5 | | InChi: | InChI=1S/C22H16N2O/c1-23-22(25)24-21-17-8-3-2-7-15(17)16-11-9-13-5-4-6-14-10-12-18(21)20(16)19(13)14/h2-12H,1H3,(H2,23,24,25) | | Synonyms: | 6-[3-METHYLUREAYL]-BENZO[A]PYRENE | | Definition date: | 2000-03-20 | | Last modified: | 2020-06-17 | | Identifier: | 1-benzo[pqr]tetraphen-6-yl-3-methylurea |
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 | | TXE | | Name: | [[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-ph
osphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl phosphate | | Formula: | C21 H31 N7 O14 P2 | | SMILES: | NC(=O)[CH]1CC=CN(C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C21H31N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1,3,7-11,13-16,20-21,29-32H,2,4-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/p-2/t9-,10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | | Synonyms: | 1,2,3,4-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE | | Definition date: | 2013-10-31 | | Last modified: | 2020-06-17 | | Release date: | 2014-10-29 | | Identifier: | [[(2R,3S,4R,5R)-5-[(3R)-3-aminocarbonyl-3,4-dihydro-2H-pyridin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate |
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 | | TXS | | Name: | 1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione | | Formula: | C14 H21 N3 O4 | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(O)C2)CN3CCCC3 | | InChi: | InChI=1S/C14H21N3O4/c1-9-7-17(14(20)15-13(9)19)12-6-10(18)11(21-12)8-16-4-2-3-5-16/h7,10-12,18H,2-6,8H2,1H3,(H,15,19,20)/t10-,11+,12+/m1/s1 | | Synonyms: | 5'-deoxy-5'-pyrrolidin-1-ylthymidine | | Definition date: | 2008-05-28 | | Last modified: | 2020-06-17 | | Identifier: | 1-(2,5-dideoxy-5-pyrrolidin-1-yl-beta-L-erythro-pentofuranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione |
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 | | H8D | | Name: | (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide | | Formula: | C20 H25 N3 O2 | | SMILES: | c3ccc2C=1C(N(C)CC(C(NC(CO)CC)=O)C=1)Cc4c2c3nc4 | | InChi: | InChI=1S/C20H25N3O2/c1-3-14(11-24)22-20(25)13-7-16-15-5-4-6-17-19(15)12(9-21-17)8-18(16)23(2)10-13/h4-7,9,13-14,18,21,24H,3,8,10-11H2,1-2H3,(H,22,25)/t13-,14+,18-/m1/s1 | | Synonyms: | methylergonovine | | Definition date: | 2018-06-15 | | Last modified: | 2020-06-17 | | Release date: | 2018-08-29 | | Identifier: | (8beta)-N-[(2S)-1-hydroxybutan-2-yl]-6-methyl-9,10-didehydroergoline-8-carboxamide |
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 | | HC2 | | Name: | 20-HYDROXYCHOLESTEROL | | Formula: | C27 H46 O2 | | SMILES: | OC(C4C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)CC4)C)(C)CCCC(C)C | | InChi: | InChI=1S/C27H46O2/c1-18(2)7-6-14-27(5,29)24-11-10-22-21-9-8-19-17-20(28)12-15-25(19,3)23(21)13-16-26(22,24)4/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t20-,21-,22-,23-,24-,25-,26-,27+/m0/s1 | | Synonyms: | (3BETA,20R)-CHOLEST-5-ENE-3,20-DIOL | | Definition date: | 2005-05-09 | | Last modified: | 2020-06-17 | | Identifier: | (3beta,14beta,17alpha,20R)-cholest-5-ene-3,20-diol |
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 | | HC3 | | Name: | 25-HYDROXYCHOLESTEROL | | Formula: | C27 H46 O2 | | SMILES: | OC(C)(C)CCCC(C4C3(C(C1C(C2(C(=CC1)CC(O)CC2)C)CC3)CC4)C)C | | InChi: | InChI=1S/C27H46O2/c1-18(7-6-14-25(2,3)29)22-10-11-23-21-9-8-19-17-20(28)12-15-26(19,4)24(21)13-16-27(22,23)5/h8,18,20-24,28-29H,6-7,9-17H2,1-5H3/t18-,20+,21+,22-,23+,24+,26+,27-/m1/s1 | | Synonyms: | (3BETA)-CHOLEST-5-ENE-3,25-DIOL | | Definition date: | 2005-05-10 | | Last modified: | 2020-06-17 | | Identifier: | (3beta,14beta,17alpha)-cholest-5-ene-3,25-diol |
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 | | BYY | | Name: | 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid | | Formula: | C10 H16 N2 O3 Se | | SMILES: | O=C1NC2C(N1)C([Se]C2)CCCCC(O)=O | | InChi: | InChI=1S/C10H16N2O3Se/c13-8(14)4-2-1-3-7-9-6(5-16-7)11-10(15)12-9/h6-7,9H,1-5H2,(H,13,14)(H2,11,12,15)/t6-,7-,9-/m0/s1 | | Synonyms: | selenobiotin | | Definition date: | 2016-04-18 | | Last modified: | 2020-06-17 | | Release date: | 2016-11-16 | | Identifier: | 5-[(3aS,4S,6aR)-2-oxohexahydro-1H-selenopheno[3,4-d]imidazol-4-yl]pentanoic acid |
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 | | HDD | | Name: | CIS-HEME D HYDROXYCHLORIN GAMMA-SPIROLACTONE | | Formula: | C34 H32 Fe N4 O5 | | SMILES: | O=C(O)CCc1c(c2C=C7C(=C(C=C)C6=Cc5c(c(C=C)c4C=C9N3C(=Cc1n2[Fe]3(n45)N67)C8(OC(=O)CC8)C9(O)C)C)C)C | | InChi: | InChI=1S/C34H32N4O5.Fe/c1-7-20-17(3)23-13-24-19(5)22(9-10-31(39)40)28(37-24)16-30-34(12-11-32(41)43-34)33(6,42)29(38-30)15-27-21(8-2)18(4)25(36-27)14-26(20)35-23 | | Synonyms: | HEME | | Definition date: | 2000-08-22 | | Last modified: | 2020-06-17 | | Identifier: | {3-[(2R,5'S)-9',14'-diethenyl-5'-hydroxy-5',10',15',19'-tetramethyl-5-oxo-4,5-dihydro-3H-spiro[furan-2,4'-[21,22,23,24]tetraazapentacyclo[16.2.1.1~3,6~.1~8,11~.1~13,16~]tetracosa[1(20),2,6,8,10,12,14,16,18]nonaen]-20'-yl-kappa~4~N~21'~,N~22'~,N~23'~,N~24'~]propanoato(4-)}iron |
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 | | HE7 | | Name: | 4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid | | Formula: | C22 H28 O5 | | SMILES: | O=C(O)CCC(=O)OC4CCC3C2C(c1ccc(O)cc1CC2)CCC34C | | InChi: | InChI=1S/C22H28O5/c1-22-11-10-16-15-5-3-14(23)12-13(15)2-4-17(16)18(22)6-7-19(22)27-21(26)9-8-20(24)25/h3,5,12,16-19,23H,2,4,6-11H2,1H3,(H,24,25)/t16-,17-,18+,19+,22+/m1/s1 | | Synonyms: | 1,3,5(10)-Estratrien-3-[(17beta)-diol]-17-hemisuccinate | | Definition date: | 2007-09-06 | | Last modified: | 2020-06-17 | | Identifier: | 4-{[(14beta,17alpha)-3-hydroxyestra-1,3,5(10)-trien-17-yl]oxy}-4-oxobutanoic acid |
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 | | C0L | | Name: | methyl
[(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-d
ihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate | | Formula: | C30 H41 N O7 | | SMILES: | CC=[C@H]CC=C(/C)C(O)CCC(=[C@H]C=C(/C)C(O)=C1C(=O)C=C(OC1=O)C(CC[C@H]=CNC(=O)OC)C)C | | InChi: | InChI=1S/C30H41NO7/c1-7-8-9-12-21(3)24(32)17-15-20(2)14-16-23(5)28(34)27-25(33)19-26(38-29(27)35)22(4)13-10-11-18-31-30(36)37-6/h7-8,11-12,14,16,18-19,22,24,32,34H,9-10,13,15,17H2,1-6H3,(H,31,36)/b8-7+,18-11+,20-14+,21-12+,23-16+,28-27?/t22-,24-/m1/s1 | | Synonyms: | Corallopyronin A | | Definition date: | 2018-08-14 | | Last modified: | 2020-06-17 | | Release date: | 2018-11-21 | | Identifier: | methyl [(1E,5R)-5-{(3E)-3-[(2E,4E,8R,9E,12E)-1,8-dihydroxy-2,5,9-trimethyltetradeca-2,4,9,12-tetraen-1-ylidene]-2,4-dioxo-3,4-dihydro-2H-pyran-6-yl}hex-1-en-1-yl]carbamate |
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 | | HFD | | Name: | 2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-a
mine | | Formula: | C10 H15 F N5 O13 P3 | | SMILES: | O=P(OCC1OC(C(C1O)O)n3c2c(c(nc(n2)F)N)nc3)(O)OP(OP(O)(O)=O)(O)=O | | InChi: | InChI=1S/C10H15FN5O13P3/c11-10-14-7(12)4-8(15-10)16(2-13-4)9-6(18)5(17)3(27-9)1-26-31(22,23)29-32(24,25)28-30(19,20)21/h2-3,5-6,9,17-18H,1H2,(H,22,23)(H,24,25)(H2,12,14,15)(H2,19,20,21)/t3-,5-,6+,9-/m1/s1 | | Synonyms: | Fludarabine-TRIPHOSPHATE | | Definition date: | 2018-06-27 | | Last modified: | 2020-06-17 | | Release date: | 2018-10-10 | | Identifier: | 2-fluoro-9-{5-O-[(R)-hydroxy{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}-9H-purin-6-amine |
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 | | C5E | | Name: | (1R,5S)-1,2,3,4,5,6-HEXAHYDRO-8H-1,5-METHANOPYRIDO[1,2-A][1,5]DIAZOCIN-8-ONE | | Formula: | C11 H14 N2 O | | SMILES: | O=C1C=CC=C2N1CC3CNCC2C3 | | InChi: | InChI=1S/C11H14N2O/c14-11-3-1-2-10-9-4-8(5-12-6-9)7-13(10)11/h1-3,8-9,12H,4-7H2/t8-,9+/m0/s1 | | Synonyms: | CYTISINE | | Definition date: | 2012-01-23 | | Last modified: | 2020-06-17 | | Identifier: | (1R,5S)-1,2,3,4,5,6-hexahydro-8H-1,5-methanopyrido[1,2-a][1,5]diazocin-8-one |
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 | | TYP | | Name: | CYCLO-(L-TYROSINE-L-PROLINE) INHIBITOR | | Formula: | C14 H16 N2 O3 | | SMILES: | O=C1N3C(C(=O)NC1Cc2ccc(O)cc2)CCC3 | | InChi: | InChI=1S/C14H16N2O3/c17-10-5-3-9(4-6-10)8-11-14(19)16-7-1-2-12(16)13(18)15-11/h3-6,11-12,17H,1-2,7-8H2,(H,15,18)/t11-,12-/m0/s1 | | Synonyms: | (3S,8AR)-3-(4-HYDROXYBENZYL)HEXAHYDROPYRROLO[1,2-A]PYRAZINE-1,4-DIONE | | Definition date: | 2004-06-24 | | Last modified: | 2020-06-17 | | Identifier: | (3S,8aS)-3-(4-hydroxybenzyl)hexahydropyrrolo[1,2-a]pyrazine-1,4-dione |
|
 | | C8M | | Name: | 3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamid
e | | Formula: | C15 H23 N7 O4 | | SMILES: | O=C(N)CCN(C)CC3OC(n2c(nc1c(ncnc12)N)C)C(O)C3O | | InChi: | InChI=1S/C15H23N7O4/c1-7-20-10-13(17)18-6-19-14(10)22(7)15-12(25)11(24)8(26-15)5-21(2)4-3-9(16)23/h6,8,11-12,15,24-25H,3-5H2,1-2H3,(H2,16,23)(H2,17,18,19)/t8-,11-,12-,15-/m1/s1 | | Synonyms: | 5'-[(2-carboxamidomethyl)methylamino]-5'-deoxy-8-methyladenosine | | Definition date: | 2008-07-31 | | Last modified: | 2020-06-17 | | Identifier: | 3-[{[(2R,3S,4R,5R)-5-(6-amino-8-methyl-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}(methyl)amino]propanamide (non-preferred name) |
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 | | TZY | | Name: | 6-[4-(4-FLUOROPHENYL)-1,3-OXAZOL-5-YL]-3-ISOPROPYL[1,2,4]TRIAZOLO[4,3-A]PYRIDINE | | Formula: | C18 H15 F N4 O | | SMILES: | Fc4ccc(c1ncoc1c3ccc2nnc(n2c3)C(C)C)cc4 | | InChi: | InChI=1S/C18H15FN4O/c1-11(2)18-22-21-15-8-5-13(9-23(15)18)17-16(20-10-24-17)12-3-6-14(19)7-4-12/h3-11H,1-2H3 | | Synonyms: | TRIAZOLOPYRIDINE | | Definition date: | 2005-06-16 | | Last modified: | 2020-06-17 | | Identifier: | 6-[4-(4-fluorophenyl)-1,3-oxazol-5-yl]-3-(1-methylethyl)[1,2,4]triazolo[4,3-a]pyridine |
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 | | U22 | | Name: | uridine-5'-diphosphate-3-N-(R-3-hydroxylauroyl)-N-acetyl-D-glucosamine | | Formula: | C29 H50 N4 O18 P2 | | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(NC(=O)CC(O)CCCCCCCCC)C3NC(=O)C)CO)O)O | | InChi: | InChI=1S/C29H50N4O18P2/c1-3-4-5-6-7-8-9-10-17(36)13-21(38)31-22-23(30-16(2)35)28(49-18(14-34)24(22)39)50-53(45,46)51-52(43,44)47-15-19-25(40)26(41)27(48-19)33-12-11-20(37)32-29(33)42/h11-12,17-19,22-28,34,36,39-41H,3-10,13-15H2,1-2H3,(H,30,35)(H,31,38)(H,43,44)(H,45,46)(H,32,37,42)/t17-,18-,19-,22-,23-,24-,25-,26-,27-,28-/m1/s1 | | Synonyms: | (2R,3R,4R,5S,6R)-3-(acetylamino)-5-hydroxy-4-{[(3R)-3-hydroxydodecanoyl]amino}-6-(hydroxymethyl)tetrahydro-2H-pyran-2-y
l [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen
diphosphate | | Definition date: | 2009-07-30 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5S,6R)-3-(acetylamino)-5-hydroxy-4-{[(3R)-3-hydroxydodecanoyl]amino}-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | JD7 | | Name: | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile | | Formula: | C14 H13 N3 | | SMILES: | C1Cc3n(C(C1)c2ccc(cc2)C#N)cnc3 | | InChi: | InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2/t14-/m0/s1 | | Synonyms: | fadrozole | | Definition date: | 2018-08-30 | | Last modified: | 2020-06-17 | | Release date: | 2018-11-21 | | Identifier: | 4-[(5S)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]benzonitrile |
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 | | JI5 | | Name: | N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine | | Formula: | C21 H30 F N5 | | SMILES: | Fc1cccc(c1)CCNCCNC2C(CNC2)Cc3nc(N)cc(c3)C | | InChi: | InChI=1S/C21H30FN5/c1-15-9-19(27-21(23)10-15)12-17-13-25-14-20(17)26-8-7-24-6-5-16-3-2-4-18(22)11-16/h2-4,9-11,17,20,24-26H,5-8,12-14H2,1H3,(H2,23,27)/t17-,20+/m1/s1 | | Synonyms: | N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine
tetrahydrochloride | | Definition date: | 2009-09-23 | | Last modified: | 2020-06-17 | | Identifier: | N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine |
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 | | JKM | | Name: | 1-[(2S,3aS,4S,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(
1H,3H)-dione | | Formula: | C9 H11 N2 O8 P | | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C3OP(=O)(O)OC23)CO | | InChi: | InChI=1S/C9H11N2O8P/c12-3-4-6-7(19-20(15,16)18-6)8(17-4)11-2-1-5(13)10-9(11)14/h1-2,4,6-8,12H,3H2,(H,15,16)(H,10,13,14)/t4-,6-,7+,8+/m1/s1 | | Synonyms: | Uridine 2',3'-cyclophosphate | | Definition date: | 2012-02-24 | | Last modified: | 2020-06-17 | | Identifier: | 1-[(2S,3aS,4S,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxidotetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-4-yl]pyrimidine-2,4(1H,3H)-dione |
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 | | UD6 | | Name: | [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]
[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(2-oxidanylidenepropyl)oxan-2-yl] hydrogen phosphate | | Formula: | C18 H28 N2 O17 P2 | | SMILES: | O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3CC(=O)C)CO)O)O | | InChi: | InChI=1S/C18H28N2O17P2/c1-7(22)4-8-12(24)13(25)9(5-21)35-17(8)36-39(31,32)37-38(29,30)33-6-10-14(26)15(27)16(34-10)20-3-2-11(23)19-18(20)28/h2-3,8-10,12-17,21,24-27H,4-6H2,1H3,(H,29,30)(H,31,32)(H,19,23,28)/t8-,9-,10-,12-,13+,14-,15-,16-,17-/m1/s1 | | Synonyms: | UDP-2-ketoGlc | | Definition date: | 2011-05-11 | | Last modified: | 2020-06-17 | | Identifier: | (2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)tetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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