 | | S5P | | Name: | 6-sulfanyluridine-5'-phosphate | | Formula: | C9 H13 N2 O9 P S | | SMILES: | O=C1NC(=O)N(C(S)=C1)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1S/C9H13N2O9PS/c12-4-1-5(22)11(9(15)10-4)8-7(14)6(13)3(20-8)2-19-21(16,17)18/h1,3,6-8,13-14,22H,2H2,(H,10,12,15)(H2,16,17,18)/t3-,6-,7-,8-/m1/s1 | | Synonyms: | 6-mercaptouridine-5'-monophosphate | | Definition date: | 2008-10-23 | | Last modified: | 2021-03-01 | | Identifier: | 6-sulfanyluridine 5'-(dihydrogen phosphate) |
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 | | AS8 | | Name: | ACETYLSULFATE | | Formula: | C2 H4 O5 S | | SMILES: | CC(=O)O[S](O)(=O)=O | | InChi: | InChI=1S/C2H4O5S/c1-2(3)7-8(4,5)6/h1H3,(H,4,5,6) | | Synonyms: | SULFO ETHANOATE | | Definition date: | 2010-11-17 | | Last modified: | 2021-03-01 | | Identifier: | sulfo ethanoate |
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 | | PR8 | | Name: | 5'-O-[(R)-hydroxy{[(2S)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine | | Formula: | C15 H21 N6 O8 P | | SMILES: | O=P(OC(=O)C1NCCC1)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O | | InChi: | InChI=1S/C15H21N6O8P/c16-12-9-13(19-5-18-12)21(6-20-9)14-11(23)10(22)8(28-14)4-27-30(25,26)29-15(24)7-2-1-3-17-7/h5-8,10-11,14,17,22-23H,1-4H2,(H,25,26)(H2,16,18,19)/t7-,8+,10+,11+,14+/m0/s1 | | Synonyms: | prolyl-adenylate | | Definition date: | 2009-07-16 | | Last modified: | 2021-03-01 | | Identifier: | 5'-O-[(R)-hydroxy{[(2S)-pyrrolidin-2-ylcarbonyl]oxy}phosphoryl]adenosine |
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 | | PCO | | Name: | 2,4-DIHYDROXY-N-[2-(2-MERCAPTO-VINYLCARBAMOYL)-ETHYL]-3,3-DIMETHYL-BUTYRAMIDE | | Formula: | C11 H20 N2 O4 S | | SMILES: | O=C(NC=C/S)CCNC(=O)C(O)C(C)(C)CO | | InChi: | InChI=1S/C11H20N2O4S/c1-11(2,7-14)9(16)10(17)13-4-3-8(15)12-5-6-18/h5-6,9,14,16,18H,3-4,7H2,1-2H3,(H,12,15)(H,13,17)/b6-5-/t9-/m0/s1 | | Synonyms: | PANTOTHENOYLAMINOETHENETHIOL | | Definition date: | 2002-10-01 | | Last modified: | 2021-03-01 | | Identifier: | (2R)-2,4-dihydroxy-3,3-dimethyl-N-(3-oxo-3-{[(Z)-2-sulfanylethenyl]amino}propyl)butanamide |
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 | | OJ2 | | Name: | 1-[2-(2-Hydroxy-ethyl)-phenyl]-3-(3-trifluoromethoxy-phenyl)-urea | | Formula: | C16 H15 F3 N2 O3 | | SMILES: | OCCc1ccccc1NC(=O)Nc2cccc(OC(F)(F)F)c2 | | InChi: | InChI=1S/C16H15F3N2O3/c17-16(18,19)24-13-6-3-5-12(10-13)20-15(23)21-14-7-2-1-4-11(14)8-9-22/h1-7,10,22H,8-9H2,(H2,20,21,23) | | Synonyms: | 1-[2-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyloxy)phenyl]urea | | Definition date: | 2020-03-13 | | Last modified: | 2021-03-01 | | Release date: | 2020-10-14 | | Identifier: | 1-[2-(2-hydroxyethyl)phenyl]-3-[3-(trifluoromethyloxy)phenyl]urea |
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 | | TEF | | Name: | 4-(2H-tetrazol-2-yl)-L-phenylalanine | | Formula: | C10 H11 N5 O2 | | SMILES: | O=C(O)C(N)Cc1ccc(cc1)n2ncnn2 | | InChi: | InChI=1S/C10H11N5O2/c11-9(10(16)17)5-7-1-3-8(4-2-7)15-13-6-12-14-15/h1-4,6,9H,5,11H2,(H,16,17)/t9-/m0/s1 | | Synonyms: | p-(2-tetrazolyl)-phenylalanine | | Definition date: | 2010-06-03 | | Last modified: | 2021-03-01 | | Identifier: | 4-(2H-tetrazol-2-yl)-L-phenylalanine |
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 | | RRT | | Name: | (R)-RETRO-THIORPHAN | | Formula: | C12 H15 N O3 S | | SMILES: | O=C(O)CC(=O)NC(Cc1ccccc1)CS | | InChi: | InChI=1S/C12H15NO3S/c14-11(7-12(15)16)13-10(8-17)6-9-4-2-1-3-5-9/h1-5,10,17H,6-8H2,(H,13,14)(H,15,16)/t10-/m1/s1 | | Synonyms: | 3-{[(1R)-1-BENZYL-2-SULFANYLETHYL]AMINO}-3-OXOPROPANOIC ACID | | Definition date: | 2005-04-08 | | Last modified: | 2021-03-01 | | Identifier: | 3-{[(1R)-1-benzyl-2-sulfanylethyl]amino}-3-oxopropanoic acid |
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 | | PCV | | Name: | 5-AMINO-3-HYDROXY-2-(2-OXO-AZETIDIN-1-YL)-PENTANOIC ACID | | Formula: | C8 H14 N2 O4 | | SMILES: | O=C1N(C(C(=O)O)C(O)CCN)CC1 | | InChi: | InChI=1S/C8H14N2O4/c9-3-1-5(11)7(8(13)14)10-4-2-6(10)12/h5,7,11H,1-4,9H2,(H,13,14)/t5-,7+/m1/s1 | | Synonyms: | PROCLAVAMINIC ACID | | Definition date: | 2000-01-21 | | Last modified: | 2021-03-01 | | Identifier: | 5-amino-2,4,5-trideoxy-2-(2-oxoazetidin-1-yl)-D-threo-pentonic acid |
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 | | RRX | | Name: | (3R)-beta,beta-caroten-3-ol | | Formula: | C40 H56 O | | SMILES: | OC2CC(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C)CCCC1(C)C)C)C)C)C)C(C)(C)C2)C | | InChi: | InChI=1S/C40H56O/c1-30(18-13-20-32(3)23-25-37-34(5)22-15-27-39(37,7)8)16-11-12-17-31(2)19-14-21-33(4)24-26-38-35(6)28-36(41)29-40(38,9)10/h11-14,16-21,23-26,36,41H,15,22,27-29H2,1-10H3/b12-11+,18-13+,19-14+,25-23+,26-24+,30-16+,31-17+,32-20+,33-21+/t36-/m1/s1 | | Synonyms: | beta-Cryptoxanthin | | Definition date: | 2014-05-01 | | Last modified: | 2021-03-01 | | Release date: | 2014-09-03 | | Identifier: | (3R)-beta,beta-caroten-3-ol |
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 | | X3X | | Name: | bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate | | Formula: | C6 H15 O8 P | | SMILES: | O=P(OCC(O)CO)(OCC(O)CO)O | | InChi: | InChI=1S/C6H15O8P/c7-1-5(9)3-13-15(11,12)14-4-6(10)2-8/h5-10H,1-4H2,(H,11,12)/t5-,6-/m0/s1 | | Synonyms: | diglycerolphosphate | | Definition date: | 2013-10-14 | | Last modified: | 2021-03-01 | | Release date: | 2013-11-13 | | Identifier: | bis[(2S)-2,3-dihydroxypropyl] hydrogen phosphate |
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 | | PRM | | Name: | 3,8-DIAMINO-5[3-(DIETHYLMETHYLAMMONIO)PROPYL]-6-PHENYLPHENANTHRIDINIUM | | Formula: | C27 H34 N4 | | SMILES: | c4c3c1ccc(cc1c(c2ccccc2)[n+](c3cc(N)c4)CCC[N+](CC)(CC)C)N | | InChi: | InChI=1S/C27H33N4/c1-4-31(3,5-2)17-9-16-30-26-19-22(29)13-15-24(26)23-14-12-21(28)18-25(23)27(30)20-10-7-6-8-11-20/h6-8,10-15,18-19,29H,4-5,9,16-17,28H2,1-3H3/q+1/p+1 | | Synonyms: | PROPIDIUM | | Definition date: | 2002-12-11 | | Last modified: | 2021-03-01 | | Identifier: | 3,8-diamino-5-{3-[diethyl(methyl)ammonio]propyl}-6-phenylphenanthridinium |
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 | | ZOL | | Name: | ZOLEDRONIC ACID | | Formula: | C5 H10 N2 O7 P2 | | SMILES: | O=P(O)(O)C(O)(Cn1ccnc1)P(=O)(O)O | | InChi: | InChI=1S/C5H10N2O7P2/c8-5(15(9,10)11,16(12,13)14)3-7-2-1-6-4-7/h1-2,4,8H,3H2,(H2,9,10,11)(H2,12,13,14) | | Synonyms: | (1-HYDROXY-2-IMIDAZOL-1-YLETHYLIDENE)DIPHOSPHONIC ACID | | Definition date: | 2005-06-06 | | Last modified: | 2021-03-01 | | Identifier: | [1-hydroxy-2-(1H-imidazol-1-yl)ethane-1,1-diyl]bis(phosphonic acid) |
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 | | ZON | | Name: | 1-(1,2-benzoxazol-3-yl)methanesulfonamide | | Formula: | C8 H8 N2 O3 S | | SMILES: | O=S(=O)(N)Cc2noc1ccccc12 | | InChi: | InChI=1S/C8H8N2O3S/c9-14(11,12)5-7-6-3-1-2-4-8(6)13-10-7/h1-4H,5H2,(H2,9,11,12) | | Synonyms: | Zonisamide | | Definition date: | 2010-11-26 | | Last modified: | 2021-03-01 | | Identifier: | 1-(1,2-benzoxazol-3-yl)methanesulfonamide |
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 | | PRU | | Name: | (3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid | | Formula: | C12 H18 O8 | | SMILES: | O=C(O)C(CC(C(=O)O)CCC(=O)O)CC(C(=O)O)C | | InChi: | InChI=1S/C12H18O8/c1-6(10(15)16)4-8(12(19)20)5-7(11(17)18)2-3-9(13)14/h6-8H,2-5H2,1H3,(H,13,14)(H,15,16)(H,17,18)(H,19,20)/t6-,7-,8-/m1/s1 | | Synonyms: | Polyacrylic acid | | Definition date: | 2014-08-27 | | Last modified: | 2021-03-01 | | Release date: | 2015-06-10 | | Identifier: | (3R,5R,7R)-octane-1,3,5,7-tetracarboxylic acid |
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 | | ASW | | Name: | N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide | | Formula: | C21 H19 N3 O3 S | | SMILES: | O=S(=O)(Nc1ccc(c(OC)c1)Nc2c4c(nc3c2cccc3)cccc4)C | | InChi: | InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23) | | Synonyms: | Amsacrine | | Definition date: | 2012-07-25 | | Last modified: | 2021-03-01 | | Release date: | 2013-07-17 | | Identifier: | N-[4-(acridin-9-ylamino)-3-methoxyphenyl]methanesulfonamide |
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 | | PDA | | Name: | 2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOXYMETHYL-PYRIDIN-4-YLMETHYL)-AMINO]-PROPIONIC ACID | | Formula: | C11 H17 N2 O7 P | | SMILES: | O=C(O)C(NCc1c(cnc(c1O)C)COP(=O)(O)O)C | | InChi: | InChI=1S/C11H17N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3,7,13-14H,4-5H2,1-2H3,(H,15,16)(H2,17,18,19)/t7-/m0/s1 | | Synonyms: | PYRIDOXYL-ALANINE-5-PHOSPHATE | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-alanine |
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 | | TEX | | Name: | (2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one | | Formula: | C27 H39 N3 O2 | | SMILES: | c1cc(c3c2c1N(C)C(C(=O)NC(Cc2cn3)CO)C(C)C)C(C)([C@H]=C)CCC=C(/C)C | | InChi: | InChI=1S/C27H39N3O2/c1-8-27(6,13-9-10-17(2)3)21-11-12-22-23-19(15-28-24(21)23)14-20(16-31)29-26(32)25(18(4)5)30(22)7/h8,10-12,15,18,20,25,28,31H,1,9,13-14,16H2,2-7H3,(H,29,32)/t20-,25-,27-/m0/s1 | | Synonyms: | Teleocidin A 1 | | Definition date: | 2016-03-31 | | Last modified: | 2021-03-01 | | Release date: | 2016-09-28 | | Identifier: | (2S,5S)-9-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]-5-(hydroxymethyl)-1-methyl-2-(propan-2-yl)-1,2,4,5,6,8-hexahydro-3H-[1,4]diazonino[7,6,5-cd]indol-3-one |
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 | | MWB | | Name: | N1-(4,5-dihydro-1H-imidazol-2-yl)-N4-(4-((4,5-dihydro-1H-imidazol-2-yl)amino)phenyl)benzene-1,4-diamine | | Formula: | C18 H21 N7 | | SMILES: | N4=C(Nc3ccc(Nc2ccc(NC1=NCCN1)cc2)cc3)NCC4 | | InChi: | InChI=1S/C18H21N7/c1-5-15(24-17-19-9-10-20-17)6-2-13(1)23-14-3-7-16(8-4-14)25-18-21-11-12-22-18/h1-8,23H,9-12H2,(H2,19,20,24)(H2,21,22,25) | | Synonyms: | CD27 | | Definition date: | 2014-02-04 | | Last modified: | 2021-03-01 | | Release date: | 2014-06-11 | | Identifier: | N-(4,5-dihydro-1H-imidazol-2-yl)-N'-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]benzene-1,4-diamine |
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 | | UMQ | | Name: | UNDECYL-MALTOSIDE | | Formula: | C23 H44 O11 | | SMILES: | O(CCCCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO | | InChi: | InChI=1S/C23H44O11/c1-2-3-4-5-6-7-8-9-10-11-31-22-20(30)18(28)21(15(13-25)33-22)34-23-19(29)17(27)16(26)14(12-24)32-23/h14-30H,2-13H2,1H3/t14-,15-,16-,17+,18-,19-,20-,21-,22-,23-/m1/s1 | | Synonyms: | UNDECYL-BETA-D-MALTOPYRANOSIDE | | Definition date: | 2002-09-09 | | Last modified: | 2021-03-01 | | Identifier: | undecyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside |
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 | | 39H | | Name: | 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide | | Formula: | C23 H21 N3 O3 | | SMILES: | O=C2c1ccccc1C(=NN2C)CC(=O)Nc5cc3c(oc4c3CCCC4)cc5 | | InChi: | InChI=1S/C23H21N3O3/c1-26-23(28)17-8-3-2-6-15(17)19(25-26)13-22(27)24-14-10-11-21-18(12-14)16-7-4-5-9-20(16)29-21/h2-3,6,8,10-12H,4-5,7,9,13H2,1H3,(H,24,27) | | Synonyms: | D67 | | Definition date: | 2014-07-10 | | Last modified: | 2021-03-01 | | Release date: | 2014-07-23 | | Identifier: | 2-(3-methyl-4-oxo-3,4-dihydrophthalazin-1-yl)-N-(6,7,8,9-tetrahydrodibenzo[b,d]furan-2-yl)acetamide |
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 | | AT4 | | Name: | 5'-O-[(R)-HYDROXY(THIOPHOSPHONOOXY)PHOSPHORYL]ADENOSINE | | Formula: | C10 H15 N5 O9 P2 S | | SMILES: | O=P(O)(S)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O | | InChi: | InChI=1S/C10H15N5O9P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(23-10)1-22-25(18,19)24-26(20,21)27/h2-4,6-7,10,16-17H,1H2,(H,18,19)(H2,11,12,13)(H2,20,21,27)/t4-,6-,7-,10-/m1/s1 | | Synonyms: | ADENOSINE 5'-O-(2-THIODIPHOSPHATE) | | Definition date: | 2007-01-23 | | Last modified: | 2021-03-01 | | Identifier: | 5'-O-[(R)-hydroxy(thiophosphonooxy)phosphoryl]adenosine |
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 | | PDK | | Name: | (10S,13R)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide | | Formula: | C47 H87 N4 O17 P | | SMILES: | O=C(NCCOP(=O)(OCC(OC(=O)CCCCCCCCCCCCC)COC(=O)CCCCCCCCCCCCC)O)CN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC(=O)O | | InChi: | InChI=1S/C47H87N4O17P/c1-3-5-7-9-11-13-15-17-19-21-23-25-46(61)65-38-40(68-47(62)26-24-22-20-18-16-14-12-10-8-6-4-2)39-67-69(63,64)66-32-27-48-41(52)33-50(35-43(55)56)30-28-49(34-42(53)54)29-31-51(36-44(57)58)37-45(59)60/h40H,3-39H2,1-2H3,(H,48,52)(H,53,54)(H,55,56)(H,57,58)(H,59,60)(H,63,64)/t40-/m1/s1 | | Synonyms: | PE-DTPA | | Definition date: | 2009-09-30 | | Last modified: | 2021-03-01 | | Identifier: | (10S,13R)-3-{2-[{2-[bis(carboxymethyl)amino]ethyl}(carboxymethyl)amino]ethyl}-10-hydroxy-5,16-dioxo-13-(tetradecanoyloxy)-9,11,15-trioxa-3,6-diaza-10-phosphanonacosan-1-oic acid 10-oxide |
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 | | W8R | | Name: | 5-(7-(5-HYDRO-4-METHYL-2-OXAZOLYL)PHENOXY)HEPTYL)-3-METHYL ISOXAZOLE | | Formula: | C21 H28 N2 O3 | | SMILES: | N1=C(OCC1C)c3ccc(OCCCCCCCc2onc(c2)C)cc3 | | InChi: | InChI=1S/C21H28N2O3/c1-16-14-20(26-23-16)8-6-4-3-5-7-13-24-19-11-9-18(10-12-19)21-22-17(2)15-25-21/h9-12,14,17H,3-8,13,15H2,1-2H3/t17-/m1/s1 | | Synonyms: | COMPOUND I(R) | | Definition date: | 1999-07-08 | | Last modified: | 2021-03-01 | | Identifier: | 3-methyl-5-(7-{4-[(4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy}heptyl)isoxazole |
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 | | R1T | | Name: | 2-{4-[(4-AMINO-2-METHYLPYRIMIDIN-5-YL)METHYL]-5-[(1R)-1-HYDROXYETHYL]-3-METHYL-2-THIENYL}ETHYL TRIHYDROGEN DIPHOSPHATE | | Formula: | C15 H23 N3 O8 P2 S | | SMILES: | O=P(O)(O)OP(=O)(O)OCCc1sc(c(c1C)Cc2cnc(nc2N)C)C(O)C | | InChi: | InChI=1S/C15H23N3O8P2S/c1-8-12(6-11-7-17-10(3)18-15(11)16)14(9(2)19)29-13(8)4-5-25-28(23,24)26-27(20,21)22/h7,9,19H,4-6H2,1-3H3,(H,23,24)(H2,16,17,18)(H2,20,21,22)/t9-/m1/s1 | | Synonyms: | 2-[(1R)-1-HYDROXYETHYL]-3-DEAZA-THDP | | Definition date: | 2007-06-18 | | Last modified: | 2021-03-01 | | Identifier: | 2-{4-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-[(1R)-1-hydroxyethyl]-3-methylthiophen-2-yl}ethyl trihydrogen diphosphate |
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 | | XIF | | Name: | PIPERIDINE-3,4-DIOL | | Formula: | C5 H11 N O2 | | SMILES: | OC1CCNCC1O | | InChi: | InChI=1S/C5H11NO2/c7-4-1-2-6-3-5(4)8/h4-8H,1-3H2/t4-,5-/m1/s1 | | Synonyms: | XYLOSE-DERIVED ISOFAGOMINE | | Definition date: | 2000-08-17 | | Last modified: | 2021-03-01 | | Identifier: | (3R,4R)-piperidine-3,4-diol |
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