 | | QEH | | Name: | (7R)-4,7-DIHYDROXY-N,N,N-TRIMETHYL-10-OXO-3,5,9-TRIOXA-4-PHOSPHAHEPTACOSAN-1-AMINIUM 4-OXIDE | | Formula: | C26 H55 N O7 P | | SMILES: | O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCCCCCC | | InChi: | InChI=1/C26H54NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27(2,3)4/h25,28H,5-24H2,1-4H3/p+1/t25-/m1/s1/fC26H55NO7P/h30H/q+1 | | Synonyms: | L-ALPHA LYSOPHOSPHATIDYLCHOLINE,STEAROYL | | Definition date: | 2007-10-30 | | Last modified: | 2009-09-09 | | Identifier: | (4R,7R)-4,7-dihydroxy-N,N,N-trimethyl-10-oxo-3,5,9-trioxa-4-phosphaheptacosan-1-aminium 4-oxide |
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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | 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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 | | UBR | | Name: | 5-bromo-2'-deoxyuridine 5'-(dihydrogen phosphate) | | Formula: | C9 H12 Br N2 O8 P | | SMILES: | BrC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O | | InChi: | InChI=1/C9H12BrN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1 | | Definition date: | 2008-03-26 | | Last modified: | 2009-04-07 | | Identifier: | 5-bromo-2'-deoxyuridine 5'-(dihydrogen phosphate) |
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 | | PF | | Name: | PROFLAVINE | | Formula: | C13 H12 N3 | | SMILES: | c3(ccc2cc1ccc(N)cc1[nH+]c2c3)N | | InChi: | InChI=1/C13H11N3/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)16-12(8)6-10/h1-7H,14-15H2/p+1/fC13H12N3/h16H/q+1 | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-23 | | Identifier: | 3,6-diaminoacridinium |
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 | | T31 | | Name: | THYMIDINE 5'-MONOTHIOPHOSPHATE | | Formula: | C9 H13 N2 O8 P S | | SMILES: | O=P(O)(S)OCC2OC(N1C(=O)NC(=O)C=C1)C(O)C2O | | InChi: | InChI=1/C9H13N2O8PS/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(19-8)3-18-20(16,17)21/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,21)/t4-,6-,7-,8-/m1/s1/f/h10,16,21H | | Definition date: | 1998-01-07 | | Last modified: | 2009-01-07 | | Identifier: | 5'-O-thiophosphonouridine |
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 | | T36 | | Name: | SPLIT LINKAGE THYMIDINE 5'-MONOPHOSPHATE | | Formula: | C10 H15 N2 O7 P | | SMILES: | O=C1N=CC(=CN1C2OC(C(O)C2)COP(=O)(O)O)C | | InChi: | InChI=1/C10H15N2O7P/c1-6-3-11-10(14)12(4-6)9-2-7(13)8(19-9)5-18-20(15,16)17/h3-4,7-9,13H,2,5H2,1H3,(H2,15,16,17)/t7-,8+,9+/m0/s1/f/h15-16H | | Definition date: | 2004-07-12 | | Last modified: | 2009-01-07 | | Identifier: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-5-methylpyrimidin-2(1H)-one |
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 | | T37 | | Name: | 3'-AMINO-2'DEOXYTHYMIDINE 5'-MONOPHOSPHATE | | Formula: | C10 H16 N3 O7 P | | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(N)C2)COP(=O)(O)O | | InChi: | InChI=1/C10H16N3O7P/c1-5-3-13(10(15)12-9(5)14)8-2-6(11)7(20-8)4-19-21(16,17)18/h3,6-8H,2,4,11H2,1H3,(H,12,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1/f/h12,16-17H | | Definition date: | 1998-01-28 | | Last modified: | 2009-01-07 | | Identifier: | 3'-amino-3'-deoxythymidine 5'-(dihydrogen phosphate) |
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 | | PGY | | Name: | PHENYLGLYCINE | | Formula: | C8 H9 N O2 | | SMILES: | O=C(O)C(N)c1ccccc1 | | InChi: | InChI=1/C8H9NO2/c9-7(8(10)11)6-4-2-1-3-5-6/h1-5,7H,9H2,(H,10,11)/t7-/m1/s1/f/h10H | | Definition date: | 1999-07-08 | | Last modified: | 2009-01-07 | | Identifier: | (2R)-amino(phenyl)ethanoic acid |
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 | | TY3 | | Name: | 3-HYDROXY-L-TYROSINE | | Formula: | C9 H11 N O4 | | SMILES: | O=C(O)C(N)Cc1cc(O)c(O)cc1 | | InChi: | InChI=1/C9H11NO4/c10-6(9(13)14)3-5-1-2-7(11)8(12)4-5/h1-2,4,6,11-12H,3,10H2,(H,13,14)/t6-/m0/s1/f/h13H | | Definition date: | 2007-11-17 | | Last modified: | 2009-01-07 | | Identifier: | 3-hydroxy-L-tyrosine |
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