 | | TET | | Name: | URIDINE-DIPHOSPHATE-2(N-ACETYLGLUCOSAMINYL-3-FLUORO-2-PHOSPHONOOXY)PROPIONIC ACID | | Formula: | C20 H31 F N3 O23 P3 | | SMILES: | O=P(OC1OC(C(O)C(OC(OP(=O)(O)O)(C(=O)O)CF)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O | | InChi: | InChI=1S/C20H31FN3O23P3/c1-7(26)22-11-15(44-20(6-21,18(31)32)46-48(34,35)36)13(29)8(4-25)43-17(11)45-50(39,40)47-49(37,38)41-5-9-12(28)14(30)16(42-9)24-3-2-10(27)23-19(24)33/h2-3,8-9,11-17,25,28-30H,4-6H2,1H3,(H,22,26)(H,31,32)(H,37,38)(H,39,40)(H,23,27,33)(H2,34,35,36)/t8-,9-,11-,12-,13-,14-,15-,16-,17-,20+/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-3-fluoro-2-(phosphonooxy)propanoic acid (non-preferred name) |
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 | | TFB | | Name: | TETRAHYDROFURAN-2-CARBOXYLIC ACID | | Formula: | C5 H8 O3 | | SMILES: | O=C(O)C1OCCC1 | | InChi: | InChI=1S/C5H8O3/c6-5(7)4-2-1-3-8-4/h4H,1-3H2,(H,6,7)/t4-/m0/s1 | | Definition date: | 2001-11-09 | | Last modified: | 2011-06-04 | | Identifier: | (2S)-tetrahydrofuran-2-carboxylic acid |
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 | | TFT | | Name: | (L)-ALPHA-THREOFURANOSYL-THYMINE-3'-MONOPHOSPHATE | | Formula: | C9 H13 N2 O8 P | | SMILES: | O=C1NC(=O)N(C=C1C)C2OCC(OP(=O)(O)O)C2O | | InChi: | InChI=1S/C9H13N2O8P/c1-4-2-11(9(14)10-7(4)13)8-6(12)5(3-18-8)19-20(15,16)17/h2,5-6,8,12H,3H2,1H3,(H,10,13,14)(H2,15,16,17)/t5-,6+,8+/m0/s1 | | Definition date: | 2002-11-06 | | Last modified: | 2011-06-04 | | Identifier: | (3S,4R,5R)-4-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-3-yl dihydrogen phosphate |
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 | | CDN | | Name: | CARDIOLIPIN | | Formula: | C58 H120 O17 P2 | | SMILES: | O=P(O)(OCC(OC(O)CCCCCCCCCCCCCC)COC(O)CCCCC)OCC(O)COP(=O)(OCC(OC(O)CCCCCCCCCCCCCC)COC(O)CCCCCCCCCCCC)O | | InChi: | InChI=1S/C58H120O17P2/c1-5-9-13-16-19-22-25-27-30-33-36-40-44-57(62)74-53(48-68-55(60)42-38-12-8-4)50-72-76(64,65)70-46-52(59)47-71-77(66,67)73-51-54(49-69-56(61)43-39-35-32-29-24-21-18-15-11-7-3)75-58(63)45-41-37-34-31-28-26-23-20-17-14-10-6-2/h52-63H,5-51H2,1-4H3,(H,64,65)(H,66,67)/t52-,53+,54+,55?,56?,57?,58-/m0/s1 | | Definition date: | 2003-01-20 | | Last modified: | 2011-06-04 | | Identifier: | (2R)-3-{[(1S)-1-hydroxyhexyl]oxy}-2-{[(1R)-1-hydroxypentadecyl]oxy}propyl (5R,8R,10S)-2,5,10-trihydroxy-8-({[(1S)-1-hydroxytridecyl]oxy}methyl)-5-oxido-4,6,9-trioxa-5-phosphatetracos-1-yl hydrogen (S)-phosphate (non-preferred name) |
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 | | CDY | | Name: | 2-CHLORODIDEOXYADENOSINE | | Formula: | C10 H12 Cl N5 O2 | | SMILES: | Clc1nc(c2ncn(c2n1)C3OC(CC3)CO)N | | InChi: | InChI=1S/C10H12ClN5O2/c11-10-14-8(12)7-9(15-10)16(4-13-7)6-2-1-5(3-17)18-6/h4-6,17H,1-3H2,(H2,12,14,15)/t5-,6+/m0/s1 | | Definition date: | 2003-09-11 | | Last modified: | 2011-06-04 | | Identifier: | [(2S,5R)-5-(6-amino-2-chloro-9H-purin-9-yl)tetrahydrofuran-2-yl]methanol |
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 | | THA | | Name: | TACRINE | | Formula: | C13 H14 N2 | | SMILES: | n1c3c(c(c2c1cccc2)N)CCCC3 | | InChi: | InChI=1S/C13H14N2/c14-13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)13/h1,3,5,7H,2,4,6,8H2,(H2,14,15) | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | 1,2,3,4-tetrahydroacridin-9-amine |
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 | | THF | | Name: | 5-HYDROXYMETHYLENE-6-HYDROFOLIC ACID | | Formula: | C20 H23 N7 O7 | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)NCC3C=NC=2NC(=NC(=O)C=2N3CO)N)CCC(=O)O | | InChi: | InChI=1S/C20H23N7O7/c21-20-25-16-15(18(32)26-20)27(9-28)12(8-23-16)7-22-11-3-1-10(2-4-11)17(31)24-13(19(33)34)5-6-14(29)30/h1-4,8,12-13,22,28H,5-7,9H2,(H,24,31)(H,29,30)(H,33,34)(H3,21,25,26,32)/t12-,13-/m0/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-{[4-({[(6S)-2-amino-5-(hydroxymethyl)-4-oxo-1,4,5,6-tetrahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid |
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 | | THG | | Name: | (6S)-5,6,7,8-TETRAHYDROFOLATE | | Formula: | C19 H23 N7 O6 | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)NCC3NC=2C(=O)NC(=NC=2NC3)N)CCC(=O)O | | InChi: | InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12-/m0/s1 | | Definition date: | 2002-02-26 | | Last modified: | 2011-06-04 | | Identifier: | N-{[4-({[(6S)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid |
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 | | CF5 | | Name: | COFORMYCIN 5'-PHOSPHATE | | Formula: | C11 H17 N4 O8 P | | SMILES: | O=P(O)(O)OCC3OC(n2cnc1c2N=CNCC1O)C(O)C3O | | InChi: | InChI=1S/C11H17N4O8P/c16-5-1-12-3-13-10-7(5)14-4-15(10)11-9(18)8(17)6(23-11)2-22-24(19,20)21/h3-6,8-9,11,16-18H,1-2H2,(H,12,13)(H2,19,20,21)/t5-,6-,8-,9-,11-/m1/s1 | | Definition date: | 2005-06-29 | | Last modified: | 2011-06-04 | | Identifier: | (8R)-3-(5-O-phosphono-beta-D-ribofuranosyl)-3,6,7,8-tetrahydroimidazo[4,5-d][1,3]diazepin-8-ol |
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 | | THU | | Name: | TETRAHYDRODEOXYURIDINE | | Formula: | C9 H14 N2 O5 | | SMILES: | O=C1N(CCC(=O)N1)C2OC(C(O)C2)CO | | InChi: | InChI=1S/C9H14N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h5-6,8,12-13H,1-4H2,(H,10,14,15)/t5-,6+,8?/m0/s1 | | Definition date: | 2001-08-24 | | Last modified: | 2011-06-04 | | Identifier: | 2'-deoxyuridine |
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 | | GGS | | Name: | phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid | | Formula: | C20 H36 O6 P2 S | | SMILES: | CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCS[P](O)(=O)O[P](O)(O)=O | | InChi: | InChI=1S/C20H36O6P2S/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-29-28(24,25)26-27(21,22)23/h9,11,13,15H,6-8,10,12,14,16H2,1-5H3,(H,24,25)(H2,21,22,23)/b18-11+,19-13?,20-15- | | Definition date: | 2010-02-16 | | Last modified: | 2011-06-04 | | Identifier: | phosphonooxy-[(10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]sulfanyl-phosphinic acid |
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 | | GGW | | Name: | methyl [(1S,4S,5S,7S,10S)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,8,11-triazatetradec-1-yl]carbamate | | Formula: | C39 H53 N5 O7 | | SMILES: | O=C(OC)NC(C(=O)NC(Cc1ccccc1)C(O)CC(NC(=O)C(NC(=O)OC)C(C)(C)C)Cc3ccc(c2ncccc2)cc3)C(C)(C)C | | InChi: | InChI=1S/C39H53N5O7/c1-38(2,3)32(43-36(48)50-7)34(46)41-28(22-26-17-19-27(20-18-26)29-16-12-13-21-40-29)24-31(45)30(23-25-14-10-9-11-15-25)42-35(47)33(39(4,5)6)44-37(49)51-8/h9-21,28,30-33,45H,22-24H2,1-8H3,(H,41,46)(H,42,47)(H,43,48)(H,44,49)/t28-,30-,31-,32+,33+/m0/s1 | | Definition date: | 2009-05-13 | | Last modified: | 2011-06-04 | | Identifier: | methyl [(1S,4S,5S,7S,10S)-4-benzyl-1,10-di-tert-butyl-5-hydroxy-2,9,12-trioxo-7-(4-pyridin-2-ylbenzyl)-13-oxa-3,8,11-triazatetradec-1-yl]carbamate (non-preferred name) |
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 | | GGZ | | Name: | (2S,3AR,4R,6R,6AR)-4-(6-AMINO-9H-PURIN-9-YL)-6-({[(R)-HYDROXY(SULFOOXY)PHOSPHORYL]OXY}METHYL)TETRAHYDROFURO[3,4-D][1,3,2]DIOXAPHOSPHOL-2-OL 2-OXIDE | | Formula: | C10 H13 N5 O12 P2 S | | SMILES: | O=P3(OC4C(OC(n1c2ncnc(N)c2nc1)C4O3)COP(=O)(O)OS(=O)(=O)O)O | | InChi: | InChI=1S/C10H13N5O12P2S/c11-8-5-9(13-2-12-8)15(3-14-5)10-7-6(25-29(18,19)26-7)4(24-10)1-23-28(16,17)27-30(20,21)22/h2-4,6-7,10H,1H2,(H,16,17)(H,18,19)(H2,11,12,13)(H,20,21,22)/t4-,6-,7-,10-/m1/s1 | | Definition date: | 2007-04-05 | | Last modified: | 2011-06-04 | | Identifier: | (2S,3aR,4R,6R,6aR)-4-(6-amino-9H-purin-9-yl)-6-({[(R)-hydroxy(sulfooxy)phosphoryl]oxy}methyl)tetrahydrofuro[3,4-d][1,3,2]dioxaphosphol-2-ol 2-oxide |
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 | | GH3 | | Name: | 3'-DEOXY-GUANOSINE-5'-TRIPHOSPHATE | | Formula: | C10 H16 N5 O13 P3 | | SMILES: | O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c2N=C(N)NC1=O)C(O)C3 | | InChi: | InChI=1S/C10H16N5O13P3/c11-10-13-7-6(8(17)14-10)12-3-15(7)9-5(16)1-4(26-9)2-25-30(21,22)28-31(23,24)27-29(18,19)20/h3-5,9,16H,1-2H2,(H,21,22)(H,23,24)(H2,18,19,20)(H3,11,13,14,17)/t4-,5+,9+/m0/s1 | | Definition date: | 2002-10-24 | | Last modified: | 2011-06-04 | | Identifier: | 3'-deoxyguanosine 5'-(tetrahydrogen triphosphate) |
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 | | GI1 | | Name: | METHOXYCARBONYL-SUBSTITUTED GLUCOIMIDAZOLE | | Formula: | C10 H17 N2 O6 | | SMILES: | OC(OC)c1c[n+]2c(n1)C(O)C(O)C(O)C2CO | | InChi: | InChI=1S/C10H16N2O6/c1-18-10(17)4-2-12-5(3-13)6(14)7(15)8(16)9(12)11-4/h2,5-8,10,13-17H,3H2,1H3/p+1/t5-,6-,7+,8-,10+/m1/s1 | | Definition date: | 2006-10-06 | | Last modified: | 2011-06-04 | | Identifier: | (5R,6R,7S,8S)-6,7,8-trihydroxy-2-[(S)-hydroxy(methoxy)methyl]-5-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium |
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 | | GI2 | | Name: | METHYL ACETATE-SUBSTITUTED GLUCOIMIDAZOLE | | Formula: | C11 H17 N2 O6 | | SMILES: | O=C(OC)Cc1c[n+]2c(n1)C(O)C(O)C(O)C2CO | | InChi: | InChI=1S/C11H16N2O6/c1-19-7(15)2-5-3-13-6(4-14)8(16)9(17)10(18)11(13)12-5/h3,6,8-10,14,16-18H,2,4H2,1H3/p+1/t6-,8-,9+,10-/m1/s1 | | Definition date: | 2006-10-07 | | Last modified: | 2011-06-04 | | Identifier: | (5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-(2-methoxy-2-oxoethyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium |
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 | | GI3 | | Name: | CARBOXYLATE-SUBSTITUTED GLUCOIMIDAZOLE | | Formula: | C9 H13 N2 O6 | | SMILES: | O=C(O)c1c[n+]2c(n1)C(O)C(O)C(O)C2CO | | InChi: | InChI=1S/C9H12N2O6/c12-2-4-5(13)6(14)7(15)8-10-3(9(16)17)1-11(4)8/h1,4-7,12-15H,2H2,(H,16,17)/p+1/t4-,5-,6+,7-/m1/s1 | | Definition date: | 2006-10-07 | | Last modified: | 2011-06-04 | | Identifier: | (5R,6R,7S,8S)-2-carboxy-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium |
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 | | GI4 | | Name: | METHYL ACETIC ACID-SUBSTITUTED GLUCOIMIDAZOLE | | Formula: | C10 H15 N2 O6 | | SMILES: | O=C(O)Cc1c[n+]2c(n1)C(O)C(O)C(O)C2CO | | InChi: | InChI=1S/C10H14N2O6/c13-3-5-7(16)8(17)9(18)10-11-4(1-6(14)15)2-12(5)10/h2,5,7-9,13,16-18H,1,3H2,(H,14,15)/p+1/t5-,7-,8+,9-/m1/s1 | | Definition date: | 2006-10-07 | | Last modified: | 2011-06-04 | | Identifier: | (5R,6R,7S,8S)-2-(carboxymethyl)-6,7,8-trihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium |
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 | | TM1 | | Name: | 2',3'-O-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate) | | Formula: | C16 H15 N8 O13 P | | SMILES: | [O-][N+](=O)C5=CC([N+]([O-])=O)C=C([N+]([O-])=O)C15OC4C(O1)C(OC4n2c3ncnc(N)c3nc2)COP(=O)(O)O | | InChi: | InChI=1S/C16H15N8O13P/c17-13-10-14(19-4-18-13)21(5-20-10)15-12-11(7(35-15)3-34-38(31,32)33)36-16(37-12)8(23(27)28)1-6(22(25)26)2-9(16)24(29)30/h1-2,4-7,11-12,15H,3H2,(H2,17,18,19)(H2,31,32,33)/t6?,7-,11-,12-,15-,16-/m1/s1 | | Definition date: | 2011-01-07 | | Last modified: | 2011-06-04 | | Identifier: | 2',3'-O-[(1r)-2,4,6-trinitrocyclohexa-2,5-diene-1,1-diyl]adenosine 5'-(dihydrogen phosphate) |
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 | | GKD | | Name: | GUANOSINE 5'-DIPHOSPHATE-4-KETO-BETA-L-GULOSE | | Formula: | C16 H23 N5 O16 P2 | | SMILES: | O=C1C(O)C(O)C(OC1CO)OP(=O)(O)OP(=O)(O)OCC4OC(n3cnc2c3N=C(N)NC2=O)C(O)C4O | | InChi: | InChI=1S/C16H23N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,8-11,14-15,22,24-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5+,8+,9-,10+,11-,14+,15+/m0/s1 | | Definition date: | 2005-10-25 | | Last modified: | 2011-06-04 | | Identifier: | [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,6S)-3,4-dihydroxy-6-(hydroxymethyl)-5-oxotetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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 | | GKE | | Name: | GUANOSINE 5'-DIPHOSPHATE-BETA-L-GULOSE | | Formula: | C16 H25 N5 O16 P2 | | SMILES: | O=P(OC1OC(C(O)C(O)C1O)CO)(O)OP(=O)(O)OCC4OC(n2c3N=C(N)NC(=O)c3nc2)C(O)C4O | | InChi: | InChI=1S/C16H25N5O16P2/c17-16-19-12-6(13(28)20-16)18-3-21(12)14-10(26)8(24)5(34-14)2-33-38(29,30)37-39(31,32)36-15-11(27)9(25)7(23)4(1-22)35-15/h3-5,7-11,14-15,22-27H,1-2H2,(H,29,30)(H,31,32)(H3,17,19,20,28)/t4-,5+,7+,8+,9-,10+,11-,14+,15+/m0/s1 | | Definition date: | 2005-10-25 | | Last modified: | 2011-06-04 | | Identifier: | [(2R,3S,4R,5R)-5-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name) |
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 | | TMA | | Name: | TETRAMETHYLAMMONIUM ION | | Formula: | C4 H12 N | | SMILES: | C[N+](C)(C)C | | InChi: | InChI=1S/C4H12N/c1-5(2,3)4/h1-4H3/q+1 | | Definition date: | 2000-03-14 | | Last modified: | 2011-06-04 | | Identifier: | N,N,N-trimethylmethanaminium |
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 | | TMF | | Name: | 5,10-METHYLENE-6-HYDROFOLIC ACID | | Formula: | C20 H21 N7 O6 | | SMILES: | O=C(O)C(NC(=O)c1ccc(cc1)N3CN2C4=C(N=CC2C3)NC(=NC4=O)N)CCC(=O)O | | InChi: | InChI=1S/C20H21N7O6/c21-20-24-16-15(18(31)25-20)27-9-26(8-12(27)7-22-16)11-3-1-10(2-4-11)17(30)23-13(19(32)33)5-6-14(28)29/h1-4,7,12-13H,5-6,8-9H2,(H,23,30)(H,28,29)(H,32,33)(H3,21,24,25,31)/t12-,13-/m1/s1 | | Definition date: | 1999-07-08 | | Last modified: | 2011-06-04 | | Identifier: | N-({4-[(6aS)-3-amino-1-oxo-1,4,6a,7-tetrahydroimidazo[1,5-f]pteridin-8(9H)-yl]phenyl}carbonyl)-D-glutamic acid |
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 | | GKR | | Name: | D-GLUCARATE | | Formula: | C6 H8 O8 | | SMILES: | [O-]C(=O)C(O)C(O)C(O)C(O)C([O-])=O | | InChi: | InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10H,(H,11,12)(H,13,14)/p-2/t1-,2-,3-,4+/m0/s1 | | Definition date: | 2001-06-26 | | Last modified: | 2011-06-04 | | Identifier: | (2R,3S,4S,5S)-2,3,4,5-tetrahydroxyhexanedioate (non-preferred name) |
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 | | TN1 | | Name: | 5,6,7,8-TETRAHYDRONAPHTHALEN-1-OL | | Formula: | C10 H12 O | | SMILES: | Oc1cccc2c1CCCC2 | | InChi: | InChI=1S/C10H12O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h3,5,7,11H,1-2,4,6H2 | | Definition date: | 2005-03-04 | | Last modified: | 2011-06-04 | | Identifier: | 5,6,7,8-tetrahydronaphthalen-1-ol |
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