| DG2 | Name: | (2R)-2,3-diphosphoglyceric acid | Formula: | C3 H8 O10 P2 | SMILES: | OC(=O)[CH](CO[P](O)(O)=O)O[P](O)(O)=O | InChi: | InChI=1S/C3H8O10P2/c4-3(5)2(13-15(9,10)11)1-12-14(6,7)8/h2H,1H2,(H,4,5)(H2,6,7,8)(H2,9,10,11)/t2-/m1/s1 | Synonyms: | 2,3-Bisphosphoglyceric acid | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | (2~{R})-2,3-diphosphonooxypropanoic acid |
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| DGF | Name: | (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid | Formula: | C12 H17 N O5 S | SMILES: | O=C(O)C1=NC(SC1C2OCCC2)C(C=O)C(O)C | InChi: | InChI=1S/C12H17NO5S/c1-6(15)7(5-14)11-13-9(12(16)17)10(19-11)8-3-2-4-18-8/h5-8,10-11,15H,2-4H2,1H3,(H,16,17)/t6-,7-,8-,10+,11-/m1/s1 | Synonyms: | FAROPENEM PRODUCT, BOUND FORM | Definition date: | 2012-03-28 | Last modified: | 2020-06-17 | Release date: | 2016-09-28 | Identifier: | (2R,5R)-2-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-[(2R)-tetrahydrofuran-2-yl]-2,5-dihydro-1,3-thiazole-4-carboxylic acid |
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| DH4 | Name: | 2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid | Formula: | C15 H25 N3 O3 S | SMILES: | O=C(O)C1NC(SC1(C)C)C(/N=C/N2CCCCCC2)C=O | InChi: | InChI=1S/C15H25N3O3S/c1-15(2)12(14(20)21)17-13(22-15)11(9-19)16-10-18-7-5-3-4-6-8-18/h9-13,17H,3-8H2,1-2H3,(H,20,21)/b16-10+/t11-,12?,13?/m1/s1 | Synonyms: | Mecillinam, bound form | Definition date: | 2010-06-25 | Last modified: | 2020-06-17 | Identifier: | 2-[(1R)-1-{[(E)-azepan-1-ylmethylidene]amino}-2-oxoethyl]-5,5-dimethyl-1,3-thiazolidine-4-carboxylic acid |
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| DHC | Name: | CAFFEIC ACID | Formula: | C9 H8 O4 | SMILES: | O=C(O)C=Cc1cc(O)c(O)cc1 | InChi: | InChI=1S/C9H8O4/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1-5,10-11H,(H,12,13)/b4-2+ | Synonyms: | 3,4-DIHYDROXYCINNAMIC ACID | Definition date: | 2002-01-09 | Last modified: | 2020-06-17 | Identifier: | (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoic acid |
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| DXC | Name: | (3ALPHA,5BETA,12ALPHA)-3,12-DIHYDROXYCHOLAN-24-OIC ACID | Formula: | C24 H40 O4 | SMILES: | O=C(O)CCC(C4CCC3C2C(C1(C)CCC(O)CC1CC2)CC(O)C34C)C | InChi: | InChI=1S/C24H40O4/c1-14(4-9-22(27)28)18-7-8-19-17-6-5-15-12-16(25)10-11-23(15,2)20(17)13-21(26)24(18,19)3/h14-21,25-26H,4-13H2,1-3H3,(H,27,28)/t14-,15-,16-,17+,18-,19+,20+,21+,23+,24-/m1/s1 | Synonyms: | DEOXYCHOLIC ACID | Definition date: | 2000-06-26 | Last modified: | 2020-06-17 | Identifier: | (3alpha,5alpha,8alpha,12alpha,14beta,17alpha)-3,12-dihydroxycholan-24-oic acid |
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| DXL | Name: | D-xylaric acid | Formula: | C5 H8 O7 | SMILES: | O=C(O)C(O)C(O)C(O)C(=O)O | InChi: | InChI=1S/C5H8O7/c6-1(2(7)4(9)10)3(8)5(11)12/h1-3,6-8H,(H,9,10)(H,11,12)/t1-,2-,3+ | Synonyms: | m-Xylarate | Definition date: | 2010-09-27 | Last modified: | 2020-06-17 | Identifier: | D-xylaric acid |
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| DXU | Name: | (3R,4R,5R)-3-(2,6-dichlorophenyl)-N-{(1R)-1-[(2R,4S)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl}
-5-methyl-1,2-oxazolidine-4-carboxamide | Formula: | C19 H25 Cl2 N3 O5 S | SMILES: | O=C(NC(C=O)C1SC(C(N1)C(O)O)(C)C)C3C(c2c(Cl)cccc2Cl)NOC3C | InChi: | InChI=1S/C19H25Cl2N3O5S/c1-8-12(14(24-29-8)13-9(20)5-4-6-10(13)21)16(26)22-11(7-25)17-23-15(18(27)28)19(2,3)30-17/h4-8,11-12,14-15,17-18,23-24,27-28H,1-3H3,(H,22,26)/t8-,11-,12+,14-,15+,17-/m1/s1 | Synonyms: | dicloxacillin - open form | Definition date: | 2014-08-25 | Last modified: | 2020-06-17 | Release date: | 2014-09-17 | Identifier: | (3R,4R,5R)-3-(2,6-dichlorophenyl)-N-{(1R)-1-[(2R,4S)-4-(dihydroxymethyl)-5,5-dimethyl-1,3-thiazolidin-2-yl]-2-oxoethyl}-5-methyl-1,2-oxazolidine-4-carboxamide |
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| T3P | Name: | THYMIDINE-3'-PHOSPHATE | Formula: | C10 H15 N2 O8 P | SMILES: | O=C1NC(=O)N(C=C1C)C2OC(C(OP(=O)(O)O)C2)CO | InChi: | InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(7(4-13)19-8)20-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1 | Synonyms: | ALPHA-ANOMERIC THYMIDINE-3'-PHOSPHATE | Definition date: | 1999-08-26 | Last modified: | 2020-06-17 | Identifier: | 3'-thymidylic acid |
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| T4F | Name: | (2~{S})-6-azanyl-2-[[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{R},2~{S},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]hepta
nyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid | Formula: | C25 H46 N4 O5 S | SMILES: | CC1(C)[CH]2CC[C]1(C)[CH](C2)NC(=O)[CH](CC3CCCCC3)N[S](=O)(=O)N[CH](CCCCN)C(O)=O | InChi: | InChI=1S/C25H46N4O5S/c1-24(2)18-12-13-25(24,3)21(16-18)27-22(30)20(15-17-9-5-4-6-10-17)29-35(33,34)28-19(23(31)32)11-7-8-14-26/h17-21,28-29H,4-16,26H2,1-3H3,(H,27,30)(H,31,32)/t18-,19+,20+,21+,25+/m1/s1 | Synonyms: | tafCPB | Definition date: | 2016-09-28 | Last modified: | 2020-06-17 | Release date: | 2016-10-26 | Identifier: | (2~{S})-6-azanyl-2-[[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(1~{R},2~{S},4~{R})-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]propan-2-yl]sulfamoylamino]hexanoic acid |
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| DZN | Name: | DAIDZIN | Formula: | C21 H20 O9 | SMILES: | O=C3c4ccc(OC1OC(C(O)C(O)C1O)CO)cc4OC=C3c2ccc(O)cc2 | InChi: | InChI=1S/C21H20O9/c22-8-16-18(25)19(26)20(27)21(30-16)29-12-5-6-13-15(7-12)28-9-14(17(13)24)10-1-3-11(23)4-2-10/h1-7,9,16,18-23,25-27H,8H2/t16-,18-,19+,20-,21-/m1/s1 | Synonyms: | 4',7-DIHYDROXYISOFLAVONE | Definition date: | 2003-04-08 | Last modified: | 2020-06-17 | Identifier: | 3-(4-hydroxyphenyl)-4-oxo-4H-chromen-7-yl beta-D-glucopyranoside |
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| DZZ | Name: | O,O-DIMETHYL HYDROGEN THIOPHOSPHATE | Formula: | C2 H7 O3 P S | SMILES: | S=P(O)(OC)OC | InChi: | InChI=1S/C2H7O3PS/c1-4-6(3,7)5-2/h1-2H3,(H,3,7) | Synonyms: | DIMETHYL THIOPHOSPHATE | Definition date: | 2005-09-12 | Last modified: | 2020-06-17 | Identifier: | O,O-dimethyl hydrogen thiophosphate |
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| T64 | Name: | (6-4)photoproduct | Formula: | C20 H28 N4 O15 P2 | SMILES: | OP(OCC5C3CC(N1C(=O)NC(=O)C(C1C4=NC(N(C2CC(O)C(O2)COP(O3)(=O)O)C=C4C)=O)(O)C)O5)(O)=O | InChi: | InChI=1S/C20H28N4O15P2/c1-8-5-23-13-3-9(25)11(37-13)6-36-41(33,34)39-10-4-14(38-12(10)7-35-40(30,31)32)24-16(15(8)21-18(23)27)20(2,29)17(26)22-19(24)28/h5,9-14,16,25,29H,3-4,6-7H2,1-2H3,(H,33,34)(H,22,26,28)(H2,30,31,32)/t9-,10-,11+,12+,13+,14+,16-,20+/m0/s1 | Synonyms: | [(2R,4S,5R,10S,11R,13R,18R,19S)-4,8,18-trihydroxy-18,24-dimethyl-8-oxido-15,17,22-trioxo-7,9,12,26-tetraoxa-1,14,16,21-
tetraaza-8-phosphapentacyclo[18.2.2.1~2,5~.1~10,13~.0~14,19~]hexacosa-20,23-dien-11-yl]methyl dihydrogen phosphate | Definition date: | 2011-07-26 | Last modified: | 2020-06-17 | Release date: | 2015-12-02 | Identifier: | [(2R,4S,5R,10S,11R,13R,18R,19S)-4,8,18-trihydroxy-18,24-dimethyl-8-oxido-15,17,22-trioxo-7,9,12,26-tetraoxa-1,14,16,21-tetraaza-8-phosphapentacyclo[18.2.2.1~2,5~.1~10,13~.0~14,19~]hexacosa-20,23-dien-11-yl]methyl dihydrogen phosphate (non-preferred name) |
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| E15 | Name: | (4R)-3-[(2S,3S)-3-[[(2S)-2-[[(2S)-2-azanyl-2-phenyl-ethanoyl]amino]-3,3-dimethyl-butanoyl]amino]-2-hydroxy-4-phenyl-but
anoyl]-5,5-dimethyl-N-[(2R)-3-methylbutan-2-yl]-1,3-thiazolidine-4-carboxamide | Formula: | C35 H51 N5 O5 S | SMILES: | O=C(NC(C)C(C)C)C3N(C(=O)C(O)C(NC(=O)C(NC(=O)C(c1ccccc1)N)C(C)(C)C)Cc2ccccc2)CSC3(C)C | InChi: | InChI=1S/C35H51N5O5S/c1-21(2)22(3)37-32(44)29-35(7,8)46-20-40(29)33(45)27(41)25(19-23-15-11-9-12-16-23)38-31(43)28(34(4,5)6)39-30(42)26(36)24-17-13-10-14-18-24/h9-18,21-22,25-29,41H,19-20,36H2,1-8H3,(H,37,44)(H,38,43)(H,39,42)/t22-,25+,26+,27+,28-,29-/m1/s1 | Synonyms: | KNI-10681 | Definition date: | 2010-02-05 | Last modified: | 2020-06-17 | Identifier: | N~2~-[(2S)-2-amino-2-phenylacetyl]-N-{(2S,3S)-4-[(4R)-5,5-dimethyl-4-{[(2R)-3-methylbutan-2-yl]carbamoyl}-1,3-thiazolidin-3-yl]-3-hydroxy-4-oxo-1-phenylbutan-2-yl}-3-methyl-L-valinamide |
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| E1X | Name: | PHOSPHORIC ACID MONO-[5-(1-ETHYL-2,6-DIOXO-1,2,3,6-TETRAHYDRO-PURIN-9-YL)-3-HYDROXY-TETRAHYDRO-FURAN-2-YLMETHYL]ESTER | Formula: | C12 H17 N4 O8 P | SMILES: | O=C3Nc1c(ncn1C2OC(C(O)C2)COP(=O)(O)O)C(=O)N3CC | InChi: | InChI=1S/C12H17N4O8P/c1-2-15-11(18)9-10(14-12(15)19)16(5-13-9)8-3-6(17)7(24-8)4-23-25(20,21)22/h5-8,17H,2-4H2,1H3,(H,14,19)(H2,20,21,22)/t6-,7+,8+/m0/s1 | Synonyms: | N1-ETHYL-2'-DEOXYXANTHOSINE 5'-MONOPHOSPHATE | Definition date: | 2004-05-06 | Last modified: | 2020-06-17 | Identifier: | 2'-deoxy-1-ethylxanthosine 5'-(dihydrogen phosphate) |
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| E2J | Name: | 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one | Formula: | C27 H25 F2 N3 O S | SMILES: | C5=4N(C(C(CCN1CCC(CC1)=C(/c2ccc(cc2)F)c3ccc(F)cc3)=C(N=4)C)=O)C=CS5 | InChi: | InChI=1S/C27H25F2N3OS/c1-18-24(26(33)32-16-17-34-27(32)30-18)12-15-31-13-10-21(11-14-31)25(19-2-6-22(28)7-3-19)20-4-8-23(29)9-5-20/h2-9,16-17H,10-15H2,1H3 | Synonyms: | Ritanserin | Definition date: | 2017-11-28 | Last modified: | 2020-06-17 | Release date: | 2018-02-14 | Identifier: | 6-(2-{4-[bis(4-fluorophenyl)methylidene]piperidin-1-yl}ethyl)-7-methyl-5H-[1,3]thiazolo[3,2-a]pyrimidin-5-one |
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| E2Z | Name: | 2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine | Formula: | C17 H18 F N5 | SMILES: | Fc1cccc(c1)CCNCCc2nc(ncc2)n3ccnc3 | InChi: | InChI=1S/C17H18FN5/c18-15-3-1-2-14(12-15)4-7-19-8-5-16-6-9-21-17(22-16)23-11-10-20-13-23/h1-3,6,9-13,19H,4-5,7-8H2 | Synonyms: | 2-(2-(1H-Imidazol-1-yl)pyrimidin-4-yl)-n-(3-fluorophenethyl)ethan-1-amine | Definition date: | 2014-10-21 | Last modified: | 2020-06-17 | Release date: | 2014-12-24 | Identifier: | 2-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}ethanamine |
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| T8X | Name: | 2-O-sulfo-alpha-D-glucopyranosyl
2-O-hexadecanoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-D-glucopyranoside | Formula: | C56 H104 O16 S | SMILES: | O=S(=O)(O)OC2C(O)C(O)C(OC2OC1OC(CO)C(O)C(OC(=O)/C(=C/C(C)CC(C)CC(C)CCCCCCCCCCCCCCCC)C)C1OC(=O)CCCCCCCCCCCCCCC)CO | InChi: | InChI=1S/C56H104O16S/c1-7-9-11-13-15-17-19-21-23-24-26-28-30-32-34-41(3)36-42(4)37-43(5)38-44(6)54(63)70-51-49(61)46(40-58)68-56(71-55-52(72-73(64,65)66)50(62)48(60)45(39-57)67-55)53(51)69-47(59)35-33-31-29-27-25-22-20-18-16-14-12-10-8-2/h38,41-43,45-46,48-53,55-58,60-62H,7-37,39-40H2,1-6H3,(H,64,65,66)/b44-38+/t41-,42-,43-,45+,46+,48+,49+,50-,51-,52+,53+,55+,56+/m0/s1 | Synonyms: | 2-Palmitoyl-3-[2S,4S,6S,8S-tetramethyl-trans-2-tetracosenoyl]-2'-sulfate-alpha-alpha'-D-trehalose | Definition date: | 2011-08-18 | Last modified: | 2020-06-17 | Identifier: | 2-O-sulfo-alpha-D-glucopyranosyl 2-O-hexadecanoyl-3-O-[(2E,4S,6S,8S)-2,4,6,8-tetramethyltetracos-2-enoyl]-alpha-D-glucopyranoside |
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| TAN | Name: | 2,2-dimethylpropanenitrile | Formula: | C5 H9 N | SMILES: | CC(C)(C)C#N | InChi: | InChI=1S/C5H9N/c1-5(2,3)4-6/h1-3H3 | Synonyms: | Trimethylacetonitrile | Definition date: | 2009-10-06 | Last modified: | 2020-06-17 | Identifier: | 2,2-dimethylpropanenitrile |
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| TB1 | Name: | (3S)-3-(BENZYLOXY)-L-ASPARTIC ACID | Formula: | C11 H13 N O5 | SMILES: | O=C(O)C(N)C(OCc1ccccc1)C(=O)O | InChi: | InChI=1S/C11H13NO5/c12-8(10(13)14)9(11(15)16)17-6-7-4-2-1-3-5-7/h1-5,8-9H,6,12H2,(H,13,14)(H,15,16)/t8-,9-/m0/s1 | Synonyms: | D,L-THREO-BENZYLOXYASPARTATE | Definition date: | 2007-01-15 | Last modified: | 2020-06-17 | Identifier: | (3S)-3-(benzyloxy)-L-aspartic acid |
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| TBN | Name: | '2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL | Formula: | C11 H14 N4 O4 | SMILES: | OCC3OC(n2ccc1c(ncnc12)N)C(O)C3O | InChi: | InChI=1S/C11H14N4O4/c12-9-5-1-2-15(10(5)14-4-13-9)11-8(18)7(17)6(3-16)19-11/h1-2,4,6-8,11,16-18H,3H2,(H2,12,13,14)/t6-,7-,8-,11-/m1/s1 | Synonyms: | 7-DEAZAADENOSINE | Definition date: | 2003-06-23 | Last modified: | 2020-06-17 | Identifier: | 7-beta-D-ribofuranosyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine |
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| TBX | Name: | (3~{S})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol | Formula: | C16 H22 Cl N3 O | SMILES: | CC(C)(C)[C](O)(CCc1ccc(Cl)cc1)Cn2cncn2 | InChi: | InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3/t16-/m1/s1 | Synonyms: | (S)-tebuconazole | Definition date: | 2015-10-20 | Last modified: | 2020-06-17 | Release date: | 2016-02-10 | Identifier: | (3~{S})-1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol |
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| TBZ | Name: | 2''-(4-METHOXYPHENYL)-5-(3-AMINO-1-PYRROLIDINYL)-2,5',2',5''-TRI-BENZIMIDAZOLE | Formula: | C32 H29 N8 O | SMILES: | O(c1ccc(cc1)c3nc2ccc(cc2n3)c5nc4ccc(cc4n5)c6nc7c(n6)cc(cc7)N8CCC(C8)[NH3+])C | InChi: | InChI=1S/C32H28N8O/c1-41-23-7-2-18(3-8-23)30-34-24-9-4-19(14-27(24)37-30)31-35-25-10-5-20(15-28(25)38-31)32-36-26-11-6-22(16-29(26)39-32)40-13-12-21(33)17-40/h2-11,14-16,21H,12-13,17,33H2,1H3,(H,34,37)(H,35,38)(H,36,39)/p+1/t21-/m0/s1 | Synonyms: | TRIBIZ | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | (3S)-1-[2''-(4-methoxyphenyl)-1H,3'H,3''H-2,5':2',5''-terbenzimidazol-6-yl]pyrrolidin-3-aminium |
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| TCK | Name: | N-[(1S)-5-amino-1-(chloroacetyl)pentyl]-4-methylbenzenesulfonamide | Formula: | C14 H21 Cl N2 O3 S | SMILES: | O=S(=O)(NC(C(=O)CCl)CCCCN)c1ccc(cc1)C | InChi: | InChI=1S/C14H21ClN2O3S/c1-11-5-7-12(8-6-11)21(19,20)17-13(14(18)10-15)4-2-3-9-16/h5-8,13,17H,2-4,9-10,16H2,1H3/t13-/m0/s1 | Synonyms: | Tos-Lys-CH2Cl | Definition date: | 1999-07-08 | Last modified: | 2020-06-17 | Identifier: | N-[(3S)-7-amino-1-chloro-2-oxoheptan-3-yl]-4-methylbenzenesulfonamide |
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| E7Y | Name: | (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide | Formula: | C22 H37 N O2 | SMILES: | C(=O)(NCCO)CCC[C@H]=CCC=C/C[C@H]=CC[C@H]=CCCCCC | InChi: | InChI=1S/C22H37NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(25)23-20-21-24/h6-7,9-10,12-13,15-16,24H,2-5,8,11,14,17-21H2,1H3,(H,23,25)/b7-6-,10-9-,13-12-,16-15- | Synonyms: | N-arachidonoylethanolamine | Definition date: | 2017-12-07 | Last modified: | 2020-06-17 | Release date: | 2018-12-12 | Identifier: | (5Z,8Z,11Z,14Z)-N-(2-hydroxyethyl)icosa-5,8,11,14-tetraenamide |
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| ABV | Name: | 1,3-benzothiazol-2-amine | Formula: | C7 H6 N2 S | SMILES: | n1c2ccccc2sc1N | InChi: | InChI=1S/C7H6N2S/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H,(H2,8,9) | Synonyms: | 2-Aminobenzothiazole | Definition date: | 2010-04-12 | Last modified: | 2020-06-17 | Identifier: | 1,3-benzothiazol-2-amine |
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