 | | A35 | | Name: | 2-AMINO DEOXYADENOSINE 5'-MONOPHOSPHATE | | Formula: | C11 H17 N6 O6 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(nc(nc12)NC)N)CC3O | | InChi: | InChI=1/C11H17N6O6P/c1-13-11-15-9(12)8-10(16-11)17(4-14-8)7-2-5(18)6(23-7)3-22-24(19,20)21/h4-7,18H,2-3H2,1H3,(H2,19,20,21)(H3,12,13,15,16)/t5-,6+,7+/m0/s1/f/h13,19-20H,12H2 | | Definition date: | 1992-04-15 | | Last modified: | 2009-09-09 | | Identifier: | 2'-deoxy-2-(methylamino)adenosine 5'-(dihydrogen phosphate) |
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 | | 3MD | | Name: | 2S,3S-3-METHYLASPARTIC ACID | | Formula: | C5 H9 N O4 | | SMILES: | O=C(O)C(C)C(N)C(=O)O | | InChi: | InChI=1/C5H9NO4/c1-2(4(7)8)3(6)5(9)10/h2-3H,6H2,1H3,(H,7,8)(H,9,10)/t2-,3-/m0/s1/f/h7,9H | | Definition date: | 2001-03-23 | | Last modified: | 2009-09-09 | | Identifier: | (3S)-3-methyl-L-aspartic acid |
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 | | CQR | | Name: | [(4Z)-2-(AMINOMETHYL)-4-(4-HYDROXYBENZYLIDENE)-5-OXO-4,5-DIHYDRO-1H-IMIDAZOL-1-YL]ACETIC ACID | | Formula: | C13 H13 N3 O4 | | SMILES: | O=C1C(N=C(N1CC(=O)O)CN)=Cc2ccc(O)cc2 | | InChi: | InChI=1/C13H13N3O4/c14-6-11-15-10(13(20)16(11)7-12(18)19)5-8-1-3-9(17)4-2-8/h1-5,17H,6-7,14H2,(H,18,19)/b10-5-/f/h18H | | Synonyms: | CHROMOPHORE (GLY-TYR-GLY) | | Definition date: | 2006-03-08 | | Last modified: | 2009-09-09 | | Identifier: | {(4Z)-2-(aminomethyl)-4-[(4-hydroxyphenyl)methylidene]-5-oxo-4,5-dihydro-1H-imidazol-1-yl}acetic acid |
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 | | 267 | | Name: | 1-(azidomethyl)-3-methylbenzene | | Formula: | C8 H9 N3 | | SMILES: | 3-methylbenzyl azide | | InChi: | InChI=1/C8H9N3/c1-7-3-2-4-8(5-7)6-10-11-9/h2-5H,6H2,1H3 | | Definition date: | 2007-10-02 | | Last modified: | 2009-09-09 | | Identifier: | 1-(azidomethyl)-3-methylbenzene |
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 | | IDT | | Name: | 4,5-DEHYDRO-L-IDURONIC ACID | | Formula: | C6 H8 O7 | | SMILES: | O=C(O)C=1OC(O)C(O)C(O)C=1O | | InChi: | InChI=1/C6H8O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1,3,6-9,12H,(H,10,11)/t1-,3+,6+/m0/s1/f/h10H | | Definition date: | 2000-12-14 | | Last modified: | 2009-08-25 | | Identifier: | alpha-L-threo-hex-4-enopyranuronic acid |
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 | | G33 | | Name: | 8-METHYL-2'-DEOXYGUANOSINE 3'-MONOPHOSPHATE | | Formula: | C11 H16 N5 O7 P | | SMILES: | O=C1c2nc(n(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O)C | | InChi: | InChI=1/C11H16N5O7P/c1-4-13-8-9(14-11(12)15-10(8)18)16(4)7-2-5(17)6(23-7)3-22-24(19,20)21/h5-7,17H,2-3H2,1H3,(H2,19,20,21)(H3,12,14,15,18)/t5-,6+,7+/m0/s1/f/h15,19-20H,12H2 | | Definition date: | 1996-07-11 | | Last modified: | 2009-08-25 | | Identifier: | 2'-deoxy-8-methylguanosine 5'-(dihydrogen phosphate) |
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 | | 0SP | | Name: | 2'-deoxy-N-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate) | | Formula: | C16 H26 N5 O6 P S2 | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NCCCSSCCC)CC3O | | InChi: | InChI=1/C16H26N5O6PS2/c1-2-5-29-30-6-3-4-17-15-14-16(19-9-18-15)21(10-20-14)13-7-11(22)12(27-13)8-26-28(23,24)25/h9-13,22H,2-8H2,1H3,(H,17,18,19)(H2,23,24,25)/t11-,12+,13+/m0/s1/f/h17,23-24H | | Definition date: | 2008-03-28 | | Last modified: | 2009-08-25 | | Identifier: | 2'-deoxy-N-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate) |
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 | | A34 | | Name: | N6-METHYL DEOXYADENOSINE 5'-MONOPHOSPHATE | | Formula: | C11 H16 N5 O6 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NC)CC3O | | InChi: | InChI=1/C11H16N5O6P/c1-12-10-9-11(14-4-13-10)16(5-15-9)8-2-6(17)7(22-8)3-21-23(18,19)20/h4-8,17H,2-3H2,1H3,(H,12,13,14)(H2,18,19,20)/t6-,7+,8+/m0/s1/f/h12,18-19H | | Definition date: | 1995-01-15 | | Last modified: | 2009-08-25 | | Identifier: | 2'-deoxy-N-methyladenosine 5'-(dihydrogen phosphate) |
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 | | 0AM | | Name: | 2'-deoxy-N-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate) | | Formula: | C16 H26 N5 O6 P S2 | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)NCCCSSCCC)CC3O | | InChi: | InChI=1/C16H26N5O6PS2/c1-2-5-29-30-6-3-4-17-15-14-16(19-9-18-15)21(10-20-14)13-7-11(22)12(27-13)8-26-28(23,24)25/h9-13,22H,2-8H2,1H3,(H,17,18,19)(H2,23,24,25)/t11-,12+,13+/m0/s1/f/h17,23-24H | | Definition date: | 2007-11-11 | | Last modified: | 2009-08-25 | | Identifier: | 2'-deoxy-N-[3-(propyldisulfanyl)propyl]adenosine 5'-(dihydrogen phosphate) |
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 | | MH1 | | Name: | 1-methyl-L-histidine | | Formula: | C7 H11 N3 O2 | | SMILES: | O=C(O)C(N)Cc1ncn(c1)C | | InChi: | InChI=1/C7H11N3O2/c1-10-3-5(9-4-10)2-6(8)7(11)12/h3-4,6H,2,8H2,1H3,(H,11,12)/t6-/m0/s1/f/h11H | | Definition date: | 2009-02-26 | | Last modified: | 2009-08-17 | | Identifier: | 1-methyl-L-histidine |
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 | | HSR | | Name: | 2-(acetylamino)-2-deoxy-beta-D-glucopyranose | | Formula: | C8 H15 N O6 | | SMILES: | O=C(NC1C(O)C(O)C(OC1O)CO)C | | InChi: | InChI=1/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8-/m1/s1/f/h9H | | Definition date: | 2009-01-16 | | Last modified: | 2009-08-05 | | Identifier: | 2-(acetylamino)-2-deoxy-beta-D-glucopyranose |
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 | | 3DB | | Name: | 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide | | Formula: | C8 H8 N4 O4 S3 | | SMILES: | O=S(=O)(c1nnc(s1)NS(=O)(=O)c2ccccc2)N | | InChi: | InChI=1/C8H8N4O4S3/c9-18(13,14)8-11-10-7(17-8)12-19(15,16)6-4-2-1-3-5-6/h1-5H,(H,10,12)(H2,9,13,14)/f/h12H,9H2 | | Definition date: | 2008-06-03 | | Last modified: | 2009-08-04 | | Identifier: | 5-[(phenylsulfonyl)amino]-1,3,4-thiadiazole-2-sulfonamide |
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 | | MB0 | | Name: | (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile | | Formula: | C18 H18 Cl2 N4 O | | SMILES: | N#CC4c1c(n(c2c1ccc(Cl)c2Cl)C)C(=O)NC34CCN(C)CC3 | | InChi: | InChI=1/C18H18Cl2N4O/c1-23-7-5-18(6-8-23)11(9-21)13-10-3-4-12(19)14(20)15(10)24(2)16(13)17(25)22-18/h3-4,11H,5-8H2,1-2H3,(H,22,25)/t11-/m1/s1/f/h22H | | Definition date: | 2008-05-01 | | Last modified: | 2009-08-04 | | Identifier: | (4R)-7,8-dichloro-1',9-dimethyl-1-oxo-1,2,4,9-tetrahydrospiro[beta-carboline-3,4'-piperidine]-4-carbonitrile |
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 | | FIB | | Name: | 1,2,3,4,5-pentafluoro-6-iodobenzene | | Formula: | C6 F5 I | | SMILES: | Fc1c(F)c(F)c(F)c(I)c1F | | InChi: | InChI=1/C6F5I/c7-1-2(8)4(10)6(12)5(11)3(1)9 | | Definition date: | 2008-07-16 | | Last modified: | 2009-08-04 | | Identifier: | 1,2,3,4,5-pentafluoro-6-iodobenzene |
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 | | CB5 | | Name: | COBALT BIS(1,2-DICARBOLLIDE) | | Formula: | C4 H22 B18 Co | | SMILES: | [Co]|1|2|3|4|5|6|7|8([BH]9%10[BH]%11%12|1[BH]9%13[BH]%11%14%15[BH]%16|2%12[CH]%17%18|3[CH]%19|4%10[BH-]%20[BH]%17%19%21[BH]%14%16%18[BH+]%13%15%20%21)[BH]%22%23[BH]%24%25|5[BH]%26%27|6[CH]%28%29|7[CH]%30|8%22[BH]%31%32[BH]%23%24%33[BH]%25%26%34[BH]%27%28%35[BH]%29%30%31[BH]%32%33%34%35 | | InChi: | InChI=1S/2C2H11B9.Co/c3-1-2-4-6(3)9(3)5(1)7(1,2)8(2,4)10(4,6,9)11(5,7,8)9 | | Definition date: | 2005-06-14 | | Last modified: | 2009-08-02 |
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 | | DG0 | | Name: | 4-O-alpha-D-galactopyranuronosyl-alpha-D-galactopyranuronic acid | | Formula: | C12 H18 O13 | | SMILES: | O=C(O)C2OC(O)C(O)C(O)C2OC1OC(C(=O)O)C(O)C(O)C1O | | InChi: | InChI=1S/C12H18O13/c13-1-2(14)7(9(18)19)25-12(5(1)17)24-6-3(15)4(16)11(22)23-8(6)10(20)21/h1-8,11-17,22H,(H,18,19)(H,20,21)/t1-,2+,3+,4+,5+,6+,7-,8-,11-,12-/m0/s1 | | Synonyms: | DIGALACTURONIC ACID | | Definition date: | 2008-08-04 | | Last modified: | 2009-07-31 | | Identifier: | 4-O-alpha-D-galactopyranuronosyl-alpha-D-galactopyranuronic acid |
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 | | PR5 | | Name: | PURINE RIBOSIDE-5'-MONOPHOSPHATE | | Formula: | C10 H13 N4 O7 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1cncnc12)C(O)C3O | | InChi: | InChI=1/C10H13N4O7P/c15-7-6(2-20-22(17,18)19)21-10(8(7)16)14-4-13-5-1-11-3-12-9(5)14/h1,3-4,6-8,10,15-16H,2H2,(H2,17,18,19)/t6-,7-,8-,10-/m1/s1/f/h17-18H | | Definition date: | 2005-09-21 | | Last modified: | 2009-07-27 | | Identifier: | 9-(5-O-phosphono-beta-D-ribofuranosyl)-9H-purine |
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 | | LC | | Name: | L-CYTIDINE-5'-MONOPHOSPHATE | | Formula: | C9 H14 N3 O8 P | | SMILES: | O=C1N=C(N)C=CN1C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1/C9H14N3O8P/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m0/s1/f/h16-17H,10H2 | | Definition date: | 2003-10-16 | | Last modified: | 2009-07-27 | | Identifier: | 4-amino-1-(5-O-phosphono-beta-L-ribofuranosyl)pyrimidin-2(1H)-one |
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 | | LG | | Name: | L-GUANOSINE-5'-MONOPHOSPHATE | | Formula: | C10 H14 N5 O8 P | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)COP(=O)(O)O | | InChi: | InChI=1/C10H14N5O8P/c11-10-13-7-4(8(18)14-10)12-2-15(7)9-6(17)5(16)3(23-9)1-22-24(19,20)21/h2-3,5-6,9,16-17H,1H2,(H2,19,20,21)(H3,11,13,14,18)/t3-,5-,6-,9-/m0/s1/f/h14,19-20H,11H2 | | Definition date: | 2003-10-16 | | Last modified: | 2009-07-27 | | Identifier: | 2-amino-9-(5-O-phosphono-beta-L-ribofuranosyl)-1,9-dihydro-6H-purin-6-one |
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 | | LHU | | Name: | L-URIDINE-5'-MONOPHOSPHATE | | Formula: | C9 H13 N2 O9 P | | SMILES: | O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O | | InChi: | InChI=1/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m0/s1/f/h10,16-17H | | Definition date: | 2003-10-16 | | Last modified: | 2009-07-27 | | Identifier: | 1-(5-O-phosphono-beta-L-ribofuranosyl)pyrimidine-2,4(1H,3H)-dione |
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 | | DFC | | Name: | 2'-DEOXY-L-RIBO-FURANOSYL CYTOSINE-5'-MONOPHOSPHATE | | Formula: | C9 H14 N3 O7 P | | SMILES: | O=C1N=C(N)C=CN1C2OC(C(O)C2)COP(=O)(O)O | | InChi: | InChI=1/C9H14N3O7P/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(19-8)4-18-20(15,16)17/h1-2,5-6,8,13H,3-4H2,(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m1/s1/f/h15-16H,10H2 | | Definition date: | 2000-09-25 | | Last modified: | 2009-07-27 | | Identifier: | 4-amino-1-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)pyrimidin-2(1H)-one |
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 | | DFG | | Name: | 2'-DEOXY-L-RIBO-FURANOSYL GUANINE-5'-MONOPHOSPHATE | | Formula: | C10 H14 N5 O7 P | | SMILES: | O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3)COP(=O)(O)O | | InChi: | InChI=1/C10H14N5O7P/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(22-6)2-21-23(18,19)20/h3-6,16H,1-2H2,(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,6+/m1/s1/f/h14,18-19H,11H2 | | Definition date: | 2000-09-26 | | Last modified: | 2009-07-27 | | Identifier: | 2-amino-9-(2-deoxy-5-O-phosphono-beta-L-erythro-pentofuranosyl)-1,9-dihydro-6H-purin-6-one |
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 | | 2OA | | Name: | 2'DEOXYADENOSINE-5'-TRIPHOSPHATE | | Formula: | C10 H16 N5 O12 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O | | InChi: | InChI=1/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1/f/h17-18,20,22H,11H2 | | Definition date: | 2007-10-31 | | Last modified: | 2009-05-19 | | Identifier: | 2'-deoxyadenosine 5'-(tetrahydrogen triphosphate) |
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 | | TTH | | Name: | 2,6,10,14-TETRAMETHYL-HEXADECA-2,6,10,14-TETRAENE | | Formula: | C20 H34 | | SMILES: | C(=C/CCC(=C/C)/C)(CC/C=C(/CC/C=C(C)C)C)C | | InChi: | InChI=1/C20H34/c1-7-18(4)12-9-14-20(6)16-10-15-19(5)13-8-11-17(2)3/h7,11,14-15H,8-10,12-13,16H2,1-6H3/b18-7+,19-15+,20-14+ | | Definition date: | 2002-11-20 | | Last modified: | 2009-05-01 | | Identifier: | (6E,10E,14E)-2,6,10,14-tetramethylhexadeca-2,6,10,14-tetraene |
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 | | LCX | | Name: | CARBOXYLATED LYSINE | | Formula: | C7 H16 N2 O3 | | SMILES: | O=C(O)NCCCCC(N)CO | | InChi: | InChI=1/C7H16N2O3/c8-6(5-10)3-1-2-4-9-7(11)12/h6,9-10H,1-5,8H2,(H,11,12)/t6-/m0/s1/f/h11H | | Synonyms: | (5R)-5-AMINO-6-HYDROXYHEXYLCARBAMIC ACID | | Definition date: | 2003-04-30 | | Last modified: | 2009-04-22 | | Identifier: | [(5S)-5-amino-6-hydroxyhexyl]carbamic acid |
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