 | | UMG | | Name: | METHYL-UMBELLIFERTL-N-ACETYL-CHITOTRIOSE | | Formula: | C34 H47 N3 O18 | | SMILES: | O=C5Oc4c(ccc(OC3OC(C(OC2OC(C(OC1OC(CO)C(O)C(O)C1NC(=O)C)C(O)C2NC(=O)C)CO)C(O)C3NC(=O)C)CO)c4)C(=C5)C | | InChi: | InChI=1S/C34H47N3O18/c1-12-7-22(44)50-18-8-16(5-6-17(12)18)49-32-24(36-14(3)42)28(47)30(20(10-39)52-32)55-34-25(37-15(4)43)29(48)31(21(11-40)53-34)54-33-23(35-13(2)41)27(46)26(45)19(9-38)51-33/h5-8,19-21,23-34,38-40,45-48H,9-11H2,1-4H3,(H,35,41)(H,36,42)(H,37,43)/t19-,20-,21-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32+,33+,34+/m1/s1 | | Synonyms: | METHYLUMBELLIFERYL CHITOTRIOSE | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 4-methyl-2-oxo-2H-chromen-7-yl 2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside |
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 | | XIM | | Name: | 5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL | | Formula: | C7 H10 N2 O3 | | SMILES: | n1ccn2c1C(O)C(O)C(O)C2 | | InChi: | InChI=1S/C7H10N2O3/c10-4-3-9-2-1-8-7(9)6(12)5(4)11/h1-2,4-6,10-12H,3H2/t4-,5+,6-/m1/s1 | | Synonyms: | XYLOSE-DERIVED IMIDAZOLE | | Definition date: | 2000-08-17 | | Last modified: | 2020-06-17 | | Identifier: | (6R,7S,8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-6,7,8-triol |
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 | | Q86 | | Name: | 4-phenyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one | | Formula: | C12 H13 N3 O | | SMILES: | O=C(CCc1ccccc1)Cn2ncnc2 | | InChi: | InChI=1S/C12H13N3O/c16-12(8-15-10-13-9-14-15)7-6-11-4-2-1-3-5-11/h1-5,9-10H,6-8H2 | | Synonyms: | 4-Phenyl-1-(1H-1,2,4-triazol-1-yl)-2-butanone | | Definition date: | 2009-10-06 | | Last modified: | 2020-06-17 | | Identifier: | 4-phenyl-1-(1H-1,2,4-triazol-1-yl)butan-2-one |
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 | | WPP | | Name: | Piperacillin | | Formula: | C23 H27 N5 O7 S | | SMILES: | O=C1C(=O)N(CC)CCN1C(=O)NC(c2ccccc2)C(=O)NC4C(=O)N3C(C(=O)O)C(SC34)(C)C | | InChi: | InChI=1S/C23H27N5O7S/c1-4-26-10-11-27(19(32)18(26)31)22(35)25-13(12-8-6-5-7-9-12)16(29)24-14-17(30)28-15(21(33)34)23(2,3)36-20(14)28/h5-9,13-15,20H,4,10-11H2,1-3H3,(H,24,29)(H,25,35)(H,33,34)/t13-,14-,15+,20-/m1/s1 | | Synonyms: | (2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thi
a-1-azabicyclo[3.2.0]heptane-2-carboxylic acid | | Definition date: | 2011-01-06 | | Last modified: | 2020-06-17 | | Identifier: | (2S,5R,6R)-6-{[(2R)-2-{[(4-ethyl-2,3-dioxopiperazin-1-yl)carbonyl]amino}-2-phenylacetyl]amino}-3,3-dimethyl-7-oxo-4-thia-1-azabicyclo[3.2.0]heptane-2-carboxylic acid |
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 | | Q88 | | Name: | 9H-purine-6,8-diamine | | Formula: | C5 H6 N6 | | SMILES: | n1c(c2nc(N)nc2nc1)N | | InChi: | InChI=1S/C5H6N6/c6-3-2-4(9-1-8-3)11-5(7)10-2/h1H,(H5,6,7,8,9,10,11) | | Synonyms: | 8-aminoadenine | | Definition date: | 2010-04-21 | | Last modified: | 2020-06-17 | | Identifier: | 9H-purine-6,8-diamine |
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 | | REN | | Name: | (S)-reticuline | | Formula: | C19 H23 N O4 | | SMILES: | O(c1ccc(cc1O)CC3c2c(cc(OC)c(O)c2)CCN3C)C | | InChi: | InChI=1S/C19H23NO4/c1-20-7-6-13-10-19(24-3)17(22)11-14(13)15(20)8-12-4-5-18(23-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-/m0/s1 | | Synonyms: | (1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol | | Definition date: | 2008-06-04 | | Last modified: | 2020-06-17 | | Identifier: | (1S)-1-(3-hydroxy-4-methoxybenzyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydroisoquinolin-7-ol |
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 | | ZPT | | Name: | Trichloro(ethene)platinate(II) | | Formula: | C2 H4 Cl3 Pt | | SMILES: | [Cl-]|[Pt++]|1(|[Cl-])(|[Cl-])|C=C|1 | | InChi: | InChI=1S/C2H4.3ClH.Pt/c1-2 | | Synonyms: | Zeise's salt | | Definition date: | 2016-07-13 | | Last modified: | 2020-06-17 | | Release date: | 2016-09-21 |
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 | | UMO | | Name: | 2'-F-4'-OMe U | | Formula: | C10 H14 F N2 O9 P | | SMILES: | C2(N1C(NC(=O)C=C1)=O)C(F)C(C(OC)(O2)COP(O)(=O)O)O | | InChi: | InChI=1S/C10H14FN2O9P/c1-20-10(4-21-23(17,18)19)7(15)6(11)8(22-10)13-3-2-5(14)12-9(13)16/h2-3,6-8,15H,4H2,1H3,(H,12,14,16)(H2,17,18,19)/t6-,7+,8-,10-/m1/s1 | | Synonyms: | [(2~{R},3~{R},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-4-fluoranyl-2-methoxy-3-oxidanyl-oxolan-2-yl]methyl
dihydrogen phosphate | | Definition date: | 2017-05-18 | | Last modified: | 2020-06-17 | | Release date: | 2017-10-04 | | Identifier: | [(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-fluoro-3-hydroxy-2-methoxytetrahydrofuran-2-yl]methyl dihydrogen phosphate (non-preferred name) |
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 | | SN3 | | Name: | (R)-3-((2S,3R)-1-((2S,3AR,5S,6S,7AS)-2-(2-(1-CARBAMIMIDOYL-2,5-DIHYDRO-1H-PYRROL-3-YL)ETHYLCARBAMOYL)-5,6-DIHYDROXYOCTA
HYDRO-1H-INDOL-1-YL)-3-CHLORO-4-METHYL-1-OXOPENTAN-2-YLAMINO)-2-METHOXY-3-OXOPROPYL HYDROGEN SULFATE | | Formula: | C26 H43 Cl N6 O10 S | | SMILES: | O=S(=O)(O)OCC(OC)C(=O)NC(C(=O)N2C(C(=O)NCCC1=CCN(C(=[N@H])N)C1)CC3CC(O)C(O)CC23)C(Cl)C(C)C | | InChi: | InChI=1S/C26H43ClN6O10S/c1-13(2)21(27)22(31-24(37)20(42-3)12-43-44(39,40)41)25(38)33-16-10-19(35)18(34)9-15(16)8-17(33)23(36)30-6-4-14-5-7-32(11-14)26(28)29/h5,13,15-22,34-35H,4,6-12H2,1-3H3,(H3,28,29)(H,30,36)(H,31,37)(H,39,40,41)/t15-,16+,17+,18+,19+,20-,21-,22-/m1/s1 | | Synonyms: | CHLORODYSINOSIN | | Definition date: | 2006-03-29 | | Last modified: | 2020-06-17 | | Identifier: | (2R)-3-({(2S,3R)-1-[(2S,3aR,5S,6S,7aS)-2-{[2-(1-carbamimidoyl-2,5-dihydro-1H-pyrrol-3-yl)ethyl]carbamoyl}-5,6-dihydroxyoctahydro-1H-indol-1-yl]-3-chloro-4-methyl-1-oxopentan-2-yl}amino)-2-methoxy-3-oxopropyl hydrogen sulfate (non-preferred name) |
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 | | TGF | | Name: | 2-[4-(4-{4-[(2-AMINO-5-FORMYL-4-OXO-3,4,5,6,7,8-HEXAHYDRO-PTERIDIN-6-YLMETHYL)-AMINO]-BENZOYLAMINO}-4-CARBOXY-BUTYRYLAM
INO)-4-CARBOXY-BUTYRYLAMINO]-PENTANEDIOIC ACID | | Formula: | C30 H37 N9 O13 | | SMILES: | O=C(O)C(NC(=O)CCC(C(=O)O)NC(=O)CCC(C(=O)O)NC(=O)c1ccc(cc1)NCC2N(C=3C(=O)NC(=NC=3NC2)N)C=O)CCC(=O)O | | InChi: | InChI=1S/C30H37N9O13/c31-30-37-24-23(26(46)38-30)39(13-40)16(12-33-24)11-32-15-3-1-14(2-4-15)25(45)36-19(29(51)52)6-9-21(42)34-17(27(47)48)5-8-20(41)35-18(28(49)50)7-10-22(43)44/h1-4,13,16-19,32H,5-12H2,(H,34,42)(H,35,41)(H,36,45)(H,43,44)(H,47,48)(H,49,50)(H,51,52)(H4,31,33,37,38,46)/t16-,17-,18-,19-/m0/s1 | | Synonyms: | TRIGLU-5-FORMYL-TETRAHYDROFOLATE | | Definition date: | 2002-12-02 | | Last modified: | 2020-06-17 | | Identifier: | N-{[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-gamma-glutamyl-L-gamma-glutamyl-L-glutamic acid |
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 | | 4V6 | | Name: | (3R)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide | | Formula: | C10 H13 Cl N2 O2 S | | SMILES: | c2c1S(N(C(C)N(c1ccc2Cl)C)C)(=O)=O | | InChi: | InChI=1S/C10H13ClN2O2S/c1-7-12(2)9-5-4-8(11)6-10(9)16(14,15)13(7)3/h4-7H,1-3H3/t7-/m1/s1 | | Synonyms: | BPAM-321 | | Definition date: | 2015-06-04 | | Last modified: | 2020-06-17 | | Release date: | 2016-02-17 | | Identifier: | (3R)-7-chloro-2,3,4-trimethyl-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide |
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 | | RTD | | Name: | (2R)-phenyl(sulfanyl)ethanoic acid | | Formula: | C8 H8 O2 S | | SMILES: | O=C(O)C(S)c1ccccc1 | | InChi: | InChI=1S/C8H8O2S/c9-8(10)7(11)6-4-2-1-3-5-6/h1-5,7,11H,(H,9,10)/t7-/m1/s1 | | Synonyms: | alpha-mercaptophenylacetic acid, R-thiomandelic acid | | Definition date: | 2013-02-26 | | Last modified: | 2020-06-17 | | Release date: | 2013-10-09 | | Identifier: | (2R)-phenyl(sulfanyl)ethanoic acid |
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 | | RTE | | Name: | 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid | | Formula: | C22 H16 Cl F N2 O4 | | SMILES: | c1(c(F)cc(cc1)Oc2cc3c(cc2)nc(n3C)COc4cc(ccc4)C(O)=O)Cl | | InChi: | InChI=1S/C22H16ClFN2O4/c1-26-20-11-16(30-15-5-7-17(23)18(24)10-15)6-8-19(20)25-21(26)12-29-14-4-2-3-13(9-14)22(27)28/h2-11H,12H2,1H3,(H,27,28) | | Synonyms: | 4-[[6-(4-chloro-3-fluoro-phenoxy)-1-methyl-benzimidazol-2-yl]methoxy]benzoic acid | | Definition date: | 2018-01-30 | | Last modified: | 2020-06-17 | | Release date: | 2018-10-17 | | Identifier: | 3-{[6-(4-chloro-3-fluorophenoxy)-1-methyl-1H-benzimidazol-2-yl]methoxy}benzoic acid |
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 | | PT5 | | Name: | [(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho
ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate | | Formula: | C47 H85 O19 P3 | | SMILES: | CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC | | InChi: | InChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11?,19-17?,24-22-,30-28?/t39-,42-,43+,44+,45-,46-,47-/m1/s1 | | Synonyms: | Phosphatidylinositol 4,5-bisphosphate | | Definition date: | 2009-04-22 | | Last modified: | 2020-06-17 | | Identifier: | [(2~{R})-1-octadecanoyloxy-3-[oxidanyl-[(1~{R},2~{R},3~{S},4~{R},5~{R},6~{S})-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propan-2-yl] (8~{Z})-icosa-5,8,11,14-tetraenoate |
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 | | SN9 | | Name: | 8-METHOXY-1-METHYL-4-(4-(4-(1-METHYLPYRIDINIUM-4-YLAMINO)PHENYLCARBAMOYL)PHENYLAMINO)QUINOLINIUM | | Formula: | C30 H47 N5 O2 | | SMILES: | O=C(NC2CCC(NC1CCN(C)CC1)CC2)C5CCC(NC=4c3cccc(OC)c3N(C)CC=4)CC5 | | InChi: | InChI=1S/C30H47N5O2/c1-34-18-15-25(16-19-34)31-22-11-13-24(14-12-22)33-30(36)21-7-9-23(10-8-21)32-27-17-20-35(2)29-26(27)5-4-6-28(29)37-3/h4-6,17,21-25,31-32H,7-16,18-20H2,1-3H3,(H,33,36)/t21-,22-,23+,24? | | Synonyms: | SN8224 | | Definition date: | 2005-05-20 | | Last modified: | 2020-06-17 | | Identifier: | cis-4-[(8-methoxy-1-methyl-1,2-dihydroquinolin-4-yl)amino]-N-{trans-4-[(1-methylpiperidin-4-yl)amino]cyclohexyl}cyclohexanecarboxamide |
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 | | REW | | Name: | (2S,3S)-1-(4-METHOXYPHENYL)-3-(3-(2-(5-METHYL-2-PHENYLOXAZOL-4-YL)ETHOXY)BENZYL)-4-OXOAZETIDINE-2-CARBOXYLIC ACID | | Formula: | C30 H28 N2 O6 | | SMILES: | O=C(O)C2N(c1ccc(OC)cc1)C(=O)C2Cc5cc(OCCc3nc(oc3C)c4ccccc4)ccc5 | | InChi: | InChI=1S/C30H28N2O6/c1-19-26(31-28(38-19)21-8-4-3-5-9-21)15-16-37-24-10-6-7-20(17-24)18-25-27(30(34)35)32(29(25)33)22-11-13-23(36-2)14-12-22/h3-14,17,25,27H,15-16,18H2,1-2H3,(H,34,35)/t25-,27-/m0/s1 | | Synonyms: | 4-[2-(3-{[(2S,3S)-2-carboxy-1-(4-methoxyphenyl)-4-oxoazetidin-3-yl]methyl}phenoxy)ethyl]-5-methyl-2-phenyl-1,3-oxazol-3
-ium | | Definition date: | 2007-10-30 | | Last modified: | 2020-06-17 | | Identifier: | (2S,3S)-1-(4-methoxyphenyl)-3-{3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]benzyl}-4-oxoazetidine-2-carboxylic acid |
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 | | XJ0 | | Name: | (E)-3-(2-AMINO-PYRIDINE-5YL)-ACRYLIC ACID | | Formula: | C7 H7 N3 O2 | | SMILES: | O=C(O)/C=C/c1cnc(nc1)N | | InChi: | InChI=1S/C7H7N3O2/c8-7-9-3-5(4-10-7)1-2-6(11)12/h1-4H,(H,11,12)(H2,8,9,10)/b2-1+ | | Synonyms: | (2E)-3-(2-AMINOPYRIMIDIN-5-YL)PROP-2-ENOIC ACID | | Definition date: | 2010-07-01 | | Last modified: | 2020-06-17 | | Identifier: | (2E)-3-(2-aminopyrimidin-5-yl)prop-2-enoic acid |
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 | | VGH | | Name: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine | | Formula: | C21 H22 Cl2 F N5 O | | SMILES: | Clc1ccc(F)c(Cl)c1C(Oc2cc(cnc2N)c3cnn(c3)C4CCNCC4)C | | InChi: | InChI=1S/C21H22Cl2FN5O/c1-12(19-16(22)2-3-17(24)20(19)23)30-18-8-13(9-27-21(18)25)14-10-28-29(11-14)15-4-6-26-7-5-15/h2-3,8-12,15,26H,4-7H2,1H3,(H2,25,27)/t12-/m1/s1 | | Synonyms: | CRIZOTINIB | | Definition date: | 2009-04-20 | | Last modified: | 2020-06-17 | | Identifier: | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-yl-1H-pyrazol-4-yl)pyridin-2-amine |
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 | | DLW | | Name: | (5~{S})-2-[(~{E})-~{N}-(2-ethoxyphenyl)-~{C}-methyl-carbonimidoyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one | | Formula: | C22 H23 N O3 | | SMILES: | CCOc1ccccc1N=C(C)C2=C(O)C[CH](CC2=O)c3ccccc3 | | InChi: | InChI=1S/C22H23NO3/c1-3-26-21-12-8-7-11-18(21)23-15(2)22-19(24)13-17(14-20(22)25)16-9-5-4-6-10-16/h4-12,17,24H,3,13-14H2,1-2H3/b23-15+/t17-/m0/s1 | | Synonyms: | KNI-10075 | | Definition date: | 2018-01-24 | | Last modified: | 2020-06-17 | | Release date: | 2018-03-21 | | Identifier: | (5~{S})-2-[(~{E})-~{N}-(2-ethoxyphenyl)-~{C}-methyl-carbonimidoyl]-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one |
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 | | PEV | | Name: | (1S)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL STEARATE | | Formula: | C39 H78 N O8 P | | SMILES: | O=C(OCC(OC(=O)CCCCCCCCCCCCCCCCC)COP(=O)(OCCN)O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C39H78NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37H,3-36,40H2,1-2H3,(H,43,44)/t37-/m0/s1 | | Synonyms: | PHOSPHATIDYLETHANOLAMINE | | Definition date: | 2006-07-06 | | Last modified: | 2020-06-17 | | Identifier: | (1S)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl octadecanoate |
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 | | TGS | | Name: | 1-deoxy-D-xylo-hex-3-ulose | | Formula: | C6 H12 O5 | | SMILES: | CC(O)C(C(C(CO)O)O)=O | | InChi: | InChI=1S/C6H12O5/c1-3(8)5(10)6(11)4(9)2-7/h3-4,6-9,11H,2H2,1H3/t3-,4+,6-/m0/s1 | | Synonyms: | 1-deoxy 3-keto-D-galactitol | | Definition date: | 2015-03-27 | | Last modified: | 2020-06-17 | | Release date: | 2016-03-23 | | Identifier: | 1-deoxy-D-xylo-hex-3-ulose |
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 | | PEW | | Name: | (1R)-2-{[(2-AMINOETHOXY)(HYDROXY)PHOSPHORYL]OXY}-1-[(PALMITOYLOXY)METHYL]ETHYL (9S,10S)-9,10-DIBROMOOCTADECANOATE | | Formula: | C39 H76 Br2 N O8 P | | SMILES: | BrC(CCCCCCCC)C(Br)CCCCCCCC(=O)OC(COP(=O)(OCCN)O)COC(=O)CCCCCCCCCCCCCCC | | InChi: | InChI=1S/C39H76Br2NO8P/c1-3-5-7-9-11-12-13-14-15-16-17-21-25-29-38(43)47-33-35(34-49-51(45,46)48-32-31-42)50-39(44)30-26-22-18-20-24-28-37(41)36(40)27-23-19-10-8-6-4-2/h35-37H,3-34,42H2,1-2H3,(H,45,46)/t35-,36+,37+/m1/s1 | | Synonyms: | DIBROMINATED PHOSPHATIDYLETHANOLAMINE | | Definition date: | 2006-07-06 | | Last modified: | 2020-06-17 | | Identifier: | (1R)-2-{[(S)-(2-aminoethoxy)(hydroxy)phosphoryl]oxy}-1-[(hexadecanoyloxy)methyl]ethyl (9S,10S)-9,10-dibromooctadecanoate |
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 | | TGT | | Name: | TAGETITOXIN | | Formula: | C11 H17 N2 O11 P S | | SMILES: | O=C(N)C1(O)SCC2(OC1C(OC(=O)C)C(N)C2OP(=O)(O)O)C(=O)O | | InChi: | InChI=1S/C11H17N2O11PS/c1-3(14)22-5-4(12)6(24-25(19,20)21)10(9(16)17)2-26-11(18,8(13)15)7(5)23-10/h4-7,18H,2,12H2,1H3,(H2,13,15)(H,16,17)(H2,19,20,21)/t4-,5+,6+,7+,10+,11+/m0/s1 | | Synonyms: | (1R,4R,5R,6R,7S,8R)-6-ACETOXY-7-AMINO-4-CARBAMOYL-4-HYDROXY-8-(PHOSPHONOOXY)-9-OXA-3-THIABICYCLO[3.3.1]NONANE-1-CARBOXY
LIC ACID | | Definition date: | 2005-11-01 | | Last modified: | 2020-06-17 | | Identifier: | (1R,4R,5R,6R,7S,8R)-6-(acetyloxy)-7-amino-4-carbamoyl-4-hydroxy-8-(phosphonooxy)-9-oxa-3-thiabicyclo[3.3.1]nonane-1-carboxylic acid (non-preferred name) |
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 | | DLZ | | Name: | 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol | | Formula: | C13 H18 N4 O6 | | SMILES: | O=C2N=C1N(C(=C(N=C1C(=O)N2)C)C)CC(O)C(O)C(O)CO | | InChi: | InChI=1S/C13H18N4O6/c1-5-6(2)17(3-7(19)10(21)8(20)4-18)11-9(14-5)12(22)16-13(23)15-11/h7-8,10,18-21H,3-4H2,1-2H3,(H,16,22,23)/t7-,8+,10-/m0/s1 | | Synonyms: | 6,7-dimethyl-8-(1'-D-ribityl) lumazine | | Definition date: | 2009-06-16 | | Last modified: | 2020-06-17 | | Identifier: | 1-deoxy-1-(6,7-dimethyl-2,4-dioxo-3,4-dihydropteridin-8(2H)-yl)-D-ribitol |
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 | | R18 | | Name: | (17BETA)-17-HYDROXY-17-METHYLESTRA-4,9,11-TRIEN-3-ONE | | Formula: | C19 H24 O2 | | SMILES: | O=C4C=C3C(=C2C=CC1(C(CCC1(O)C)C2CC3)C)CC4 | | InChi: | InChI=1S/C19H24O2/c1-18-9-7-15-14-6-4-13(20)11-12(14)3-5-16(15)17(18)8-10-19(18,2)21/h7,9,11,16-17,21H,3-6,8,10H2,1-2H3/t16-,17+,18+,19+/m1/s1 | | Synonyms: | METHYLTRIENOLONE | | Definition date: | 2000-06-15 | | Last modified: | 2020-06-17 | | Identifier: | (17beta)-17-hydroxy-17-methylestra-4,9,11-trien-3-one |
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