 | | ON0 | | Name: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-4,6-O-benzylidene-2-deoxy-alpha-D-glucopyranoside | | Formula: | C30 H49 N5 O14 | | SMILES: | O4C(OC3C(N)CC(N)C(O)C3OC2OC(CO)C(OC1OC(CN)C(O)C(O)C1N)C2O)C(N)C(O)C5OC(OCC45)c6ccccc6 | | InChi: | InChI=1S/C30H49N5O14/c31-7-13-19(38)20(39)16(34)28(43-13)48-24-14(8-36)44-30(22(24)41)49-26-18(37)11(32)6-12(33)23(26)46-29-17(35)21(40)25-15(45-29)9-42-27(47-25)10-4-2-1-3-5-10/h1-5,11-30,36-41H,6-9,31-35H2/t11-,12+,13+,14-,15-,16-,17-,18+,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30+/m1/s1 | | Definition date: | 2012-07-26 | | Last modified: | 2013-08-02 | | Release date: | 2013-08-07 | | Identifier: | (1R,2R,3S,4R,6S)-4,6-diamino-2-{[3-O-(2,6-diamino-2,6-dideoxy-beta-L-idopyranosyl)-beta-D-ribofuranosyl]oxy}-3-hydroxycyclohexyl 2-amino-2-deoxy-4,6-O-(phenylmethylidene)-alpha-D-glucopyranoside |
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 | | 0WH | | Name: | 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone | | Formula: | C24 H20 F3 N5 O | | SMILES: | FC(F)(F)c1cccc(c1)CC(=O)N3c2ccc(cc2CC3)c5c4c(ncnc4n(c5)C)N | | InChi: | InChI=1S/C24H20F3N5O/c1-31-12-18(21-22(28)29-13-30-23(21)31)15-5-6-19-16(11-15)7-8-32(19)20(33)10-14-3-2-4-17(9-14)24(25,26)27/h2-6,9,11-13H,7-8,10H2,1H3,(H2,28,29,30) | | Definition date: | 2012-07-24 | | Last modified: | 2012-08-03 | | Identifier: | 1-[5-(4-amino-7-methyl-7H-pyrrolo[2,3-d]pyrimidin-5-yl)-2,3-dihydro-1H-indol-1-yl]-2-[3-(trifluoromethyl)phenyl]ethanone |
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 | | OLB | | Name: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate | | Formula: | C21 H40 O4 | | SMILES: | O=C(OCC(O)CO)CCCCCCCC=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-/t20-/m0/s1 | | Definition date: | 2011-01-12 | | Last modified: | 2012-05-22 | | Identifier: | (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate |
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 | | JZB | | Name: | (5E,9E,11E)-13-chloro-14,16-dihydroxy-3,4,7,8-tetrahydro-1H-2-benzoxacyclotetradecine-1,11(12H)-dione 11-[O-(2-oxo-2-piperidin-1-ylethyl)oxime] | | Formula: | C24 H29 Cl N2 O6 | | SMILES: | O=C2OCCC=CCCC=CC(=NOCC(=O)N1CCCCC1)Cc3c2c(O)cc(O)c3Cl | | InChi: | InChI=1S/C24H29ClN2O6/c25-23-18-14-17(26-33-16-21(30)27-11-7-5-8-12-27)10-6-3-1-2-4-9-13-32-24(31)22(18)19(28)15-20(23)29/h2,4,6,10,15,28-29H,1,3,5,7-9,11-14,16H2/b4-2+,10-6+,26-17- | | Definition date: | 2009-08-14 | | Last modified: | 2011-06-04 | | Identifier: | (5E,9E,11E)-13-chloro-14,16-dihydroxy-11-{[2-oxo-2-(piperidin-1-yl)ethoxy]imino}-3,4,7,8,11,12-hexahydro-1H-2-benzoxacyclotetradecin-1-one |
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 | | NHD | | Name: | NICOTINAMIDE PURIN-6-OL-DINUCLEOTIDE | | Formula: | C21 H26 N6 O15 P2 | | SMILES: | NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(O)ncnc45)[CH](O)[CH]2O | | InChi: | InChI=1S/C21H26N6O15P2/c22-17(32)9-2-1-3-26(4-9)20-15(30)13(28)10(40-20)5-38-43(34,35)42-44(36,37)39-6-11-14(29)16(31)21(41-11)27-8-25-12-18(27)23-7-24-19(12)33/h1-4,7-8,10-11,13-16,20-21,28-31H,5-6H2,(H4-,22,23,24,32,33,34,35,36,37)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | [(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-3,4-dihydroxy-5-(6-hydroxypurin-9-yl)oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphate |
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 | | O14 | | Name: | (E)-4-((1-methylpiperidin-4-yloxyimino)methyl)benzimidamide | | Formula: | C14 H20 N4 O | | SMILES: | N(/OC1CCN(C)CC1)=Cc2ccc(C(=[N@H])N)cc2 | | InChi: | InChI=1S/C14H20N4O/c1-18-8-6-13(7-9-18)19-17-10-11-2-4-12(5-3-11)14(15)16/h2-5,10,13H,6-9H2,1H3,(H3,15,16)/b17-10+ | | Definition date: | 2009-10-08 | | Last modified: | 2011-06-04 | | Identifier: | 4-[(E)-{[(1-methylpiperidin-4-yl)oxy]imino}methyl]benzenecarboximidamide |
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 | | ADE | | Name: | ADENINE | | Formula: | C5 H5 N5 | | SMILES: | n1c(c2ncnc2nc1)N | | InChi: | InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 9H-purin-6-amine |
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 | | PHP | | Name: | (2-PHENYL-1-CARBOBENZYL-OXYVALYL-AMINO)-ETHYL-PHOSPHINIC ACID | | Formula: | C42 H51 N4 O8 P | | SMILES: | O=C(OCc1ccccc1)NC(C(=O)NC(Cc2ccccc2)P(=O)(O)C(NC(=O)C(NC(=O)OCc3ccccc3)C(C)C)Cc4ccccc4)C(C)C | | InChi: | InChI=1S/C42H51N4O8P/c1-29(2)37(45-41(49)53-27-33-21-13-7-14-22-33)39(47)43-35(25-31-17-9-5-10-18-31)55(51,52)36(26-32-19-11-6-12-20-32)44-40(48)38(30(3)4)46-42(50)54-28-34-23-15-8-16-24-34/h5-24,29-30,35-38H,25-28H2,1-4H3,(H,43,47)(H,44,48)(H,45,49)(H,46,50)(H,51,52)/t35-,36-,37+,38+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | bis[(1R)-1-{[(2S)-2-{[(benzyloxy)carbonyl]amino}-3-methylbutanoyl]amino}-2-phenylethyl]phosphinic acid (non-preferred name) |
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 | | 2BN | | Name: | (1R,4S)-2-AZABORNANE | | Formula: | C9 H17 N | | SMILES: | N2C1(CCC(C1(C)C)C2)C | | InChi: | InChI=1S/C9H17N/c1-8(2)7-4-5-9(8,3)10-6-7/h7,10H,4-6H2,1-3H3/t7-,9-/m1/s1 | | Definition date: | 2002-11-08 | | Last modified: | 2011-06-04 | | Identifier: | (1R,4S)-1,7,7-trimethyl-2-azabicyclo[2.2.1]heptane |
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 | | OC6 | | Name: | CALCIUM ION, 6 WATERS COORDINATED | | Formula: | Ca H12 O6 | | SMILES: | O|[Ca++](|O)(|O)(|O)(|O)|O | | InChi: | InChI=1/Ca.6H2O/h | | Definition date: | 1999-07-08 | | Last modified: | 2008-10-14 |
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