 | | 4DH | | Name: | 3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine | | Formula: | C21 H19 N5 O3 | | SMILES: | O=C(O)C(NC(=O)c1cc(nn1C)c2ccccc2)Cc4nc3ccccc3n4 | | InChi: | InChI=1S/C21H19N5O3/c1-26-18(11-16(25-26)13-7-3-2-4-8-13)20(27)24-17(21(28)29)12-19-22-14-9-5-6-10-15(14)23-19/h2-11,17H,12H2,1H3,(H,22,23)(H,24,27)(H,28,29)/t17-/m1/s1 | | Synonyms: | (R)-3-(1H-Benzoimidazol-2-yl)-2-[(2-methyl-5-phenyl-2H-pyrazole-3-carbonyl)-amino]-propionic acid | | Definition date: | 2009-10-23 | | Last modified: | 2020-06-17 | | Identifier: | 3-(1H-benzimidazol-2-yl)-N-[(1-methyl-3-phenyl-1H-pyrazol-5-yl)carbonyl]-D-alanine |
|
 | | QPP | | Name: | N-(5-METHYL-1H-PYRAZOL-3-YL)-2-PHENYLQUINAZOLIN-4-AMINE | | Formula: | C18 H15 N5 | | SMILES: | n2c(Nc1nnc(c1)C)c4ccccc4nc2c3ccccc3 | | InChi: | InChI=1S/C18H15N5/c1-12-11-16(23-22-12)20-18-14-9-5-6-10-15(14)19-17(21-18)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22,23) | | Synonyms: | 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE | | Definition date: | 2006-12-19 | | Last modified: | 2020-06-17 | | Identifier: | N-(5-methyl-1H-pyrazol-3-yl)-2-phenylquinazolin-4-amine |
|
 | | 4DX | | Name: | (1S,2S)-2-methylcyclohexanol | | Formula: | C7 H14 O | | SMILES: | OC1CCCCC1C | | InChi: | InChI=1S/C7H14O/c1-6-4-2-3-5-7(6)8/h6-8H,2-5H2,1H3/t6-,7-/m0/s1 | | Synonyms: | trans-2-methylcyclohexanol | | Definition date: | 2009-10-27 | | Last modified: | 2020-06-17 | | Identifier: | (1S,2S)-2-methylcyclohexanol |
|
 | | 4E8 | | Name: | 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine | | Formula: | C18 H20 F N5 | | SMILES: | Fc1cccc(c1)CCCNCCc2nc(ncc2)n3ccnc3 | | InChi: | InChI=1S/C18H20FN5/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24/h1,3,5,7,10-14,20H,2,4,6,8-9H2 | | Synonyms: | N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(3-fluorophenyl)propan-1-amine | | Definition date: | 2014-10-21 | | Last modified: | 2020-06-17 | | Release date: | 2014-12-24 | | Identifier: | 3-(3-fluorophenyl)-N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}propan-1-amine |
|
 | | QSO | | Name: | 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one | | Formula: | C16 H12 O5 | | SMILES: | O=C1c3c(OC=C1c2ccc(OC)cc2)cc(O)cc3O | | InChi: | InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3 | | Synonyms: | Biochanin A | | Definition date: | 2007-09-26 | | Last modified: | 2020-06-17 | | Identifier: | 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one |
|
 | | QSR | | Name: | (9Z,21R,24R,30R,33R,44Z)-24,27,30-trihydroxy-18,24,30,36-tetraoxo-19,23,25,29,31,35-hexaoxa-24lambda~5~,30lambda~5~-dip
hosphatripentaconta-9,44-diene-21,33-diyl (9Z,9'Z)di-octadec-9-enoate | | Formula: | C81 H150 O17 P2 | | SMILES: | O=C(OC(COC(=O)CCCCCCCC=C/CCCCCCCC)COP(=O)(O)OCC(O)COP(=O)(O)OCC(OC(=O)CCCCCCCC=C/CCCCCCCC)COC(=O)CCCCCCCC=C/CCCCCCCC)CCCCCCCC=C/CCCCCCCC | | InChi: | InChI=1S/C81H150O17P2/c1-5-9-13-17-21-25-29-33-37-41-45-49-53-57-61-65-78(83)91-71-76(97-80(85)67-63-59-55-51-47-43-39-35-31-27-23-19-15-11-7-3)73-95-99(87,88)93-69-75(82)70-94-100(89,90)96-74-77(98-81(86)68-64-60-56-52-48-44-40-36-32-28-24-20-16-12-8-4)72-92-79(84)66-62-58-54-50-46-42-38-34-30-26-22-18-14-10-6-2/h33-40,75-77,82H,5-32,41-74H2,1-4H3,(H,87,88)(H,89,90)/b37-33-,38-34-,39-35-,40-36-/t76-,77-/m1/s1 | | Synonyms: | tetraoleyl-cardiolipin | | Definition date: | 2019-12-20 | | Last modified: | 2020-06-17 | | Release date: | 2020-03-18 | | Identifier: | (9Z,21R,24R,30R,33R,44Z)-24,27,30-trihydroxy-18,24,30,36-tetraoxo-19,23,25,29,31,35-hexaoxa-24lambda~5~,30lambda~5~-diphosphatripentaconta-9,44-diene-21,33-diyl (9Z,9'Z)di-octadec-9-enoate |
|
 | | 4HC | | Name: | 4-HYDROXY-2H-CHROMEN-2-ONE | | Formula: | C9 H6 O3 | | SMILES: | O=C2Oc1ccccc1C(O)=C2 | | InChi: | InChI=1S/C9H6O3/c10-7-5-9(11)12-8-4-2-1-3-6(7)8/h1-5,10H | | Synonyms: | 4-HYDROXY-1-BENZOPYRAN-2-ONE | | Definition date: | 2003-12-22 | | Last modified: | 2020-06-17 | | Identifier: | 4-hydroxy-2H-chromen-2-one |
|
 | | 4HF | | Name: | N-[(5-{2-[(6R)-2-AMINO-4-OXO-3,4,5,6,7,8-HEXAHYDROPYRIDO[2,3-D]PYRIMIDIN-6-YL]ETHYL}-2-THIENYL)CARBONYL]-L-GLUTAMIC
ACID | | Formula: | C19 H23 N5 O6 S | | SMILES: | O=C(O)C(NC(=O)c1sc(cc1)CCC3CNC=2N=C(N)NC(=O)C=2C3)CCC(=O)O | | InChi: | InChI=1S/C19H23N5O6S/c20-19-23-15-11(16(27)24-19)7-9(8-21-15)1-2-10-3-5-13(31-10)17(28)22-12(18(29)30)4-6-14(25)26/h3,5,9,12H,1-2,4,6-8H2,(H,22,28)(H,25,26)(H,29,30)(H4,20,21,23,24,27)/t9-,12+/m1/s1 | | Synonyms: | 6R-2',5'-THIENYL-5,10-DIDEAZATETRAHYDROFOLIC ACID | | Definition date: | 2006-02-27 | | Last modified: | 2020-06-17 | | Identifier: | N-[(5-{2-[(6R)-2-amino-4-oxo-3,4,5,6,7,8-hexahydropyrido[2,3-d]pyrimidin-6-yl]ethyl}thiophen-2-yl)carbonyl]-L-glutamic acid |
|
 | | QUE | | Name: | 3,5,7,3',4'-PENTAHYDROXYFLAVONE | | Formula: | C15 H10 O7 | | SMILES: | O=C1c3c(OC(=C1O)c2ccc(O)c(O)c2)cc(O)cc3O | | InChi: | InChI=1S/C15H10O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,16-19,21H | | Synonyms: | QUERCETIN | | Definition date: | 1999-07-08 | | Last modified: | 2020-06-17 | | Identifier: | 2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one |
|
 | | QUG | | Name: | 2-amino-5-({[(1S,4S,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one | | Formula: | C12 H15 N5 O3 | | SMILES: | N1=C(Nc3c(C1=O)c(CNC2C(O)C(C=C2)O)cn3)N | | InChi: | InChI=1S/C12H15N5O3/c13-12-16-10-8(11(20)17-12)5(4-15-10)3-14-6-1-2-7(18)9(6)19/h1-2,4,6-7,9,14,18-19H,3H2,(H4,13,15,16,17,20)/t6-,7-,9-/m0/s1 | | Synonyms: | Queuine | | Definition date: | 2019-06-06 | | Last modified: | 2020-06-17 | | Release date: | 2019-09-18 | | Identifier: | 2-amino-5-({[(1S,4S,5S)-4,5-dihydroxycyclopent-2-en-1-yl]amino}methyl)-1,7-dihydro-4H-pyrrolo[2,3-d]pyrimidin-4-one |
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 | | QUS | | Name: | (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID | | Formula: | C5 H7 N3 O5 | | SMILES: | O=C1NC(=O)ON1CC(N)C(=O)O | | InChi: | InChI=1S/C5H7N3O5/c6-2(3(9)10)1-8-4(11)7-5(12)13-8/h2H,1,6H2,(H,9,10)(H,7,11,12)/t2-/m0/s1 | | Synonyms: | QUISQUALATE | | Definition date: | 2002-09-05 | | Last modified: | 2020-06-17 | | Identifier: | 3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)-L-alanine |
|
 | | 4J3 | | Name: | amino(aminooxy)sulfane dioxide | | Formula: | H4 N2 O3 S | | SMILES: | NS(=O)(ON)=O | | InChi: | InChI=1S/H4N2O3S/c1-5-6(2,3)4/h1H2,(H2,2,3,4) | | Synonyms: | Hydroxylamine-O-sulfonamide | | Definition date: | 2015-03-20 | | Last modified: | 2020-06-17 | | Release date: | 2016-03-30 | | Identifier: | amino(aminooxy)sulfane dioxide |
|
 | | QV7 | | Name: | 3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid | | Formula: | C22 H16 N4 O13 S4 | | SMILES: | O=S(=O)(O)c4ccc(/N=N/c3ccc(/N=N/c2c1c(cc(cc1)S(=O)(=O)O)cc(c2O)S(=O)(=O)O)c(c3)S(=O)(=O)O)cc4 | | InChi: | InChI=1S/C22H16N4O13S4/c27-22-20(43(37,38)39)10-12-9-16(41(31,32)33)6-7-17(12)21(22)26-25-18-8-3-14(11-19(18)42(34,35)36)24-23-13-1-4-15(5-2-13)40(28,29)30/h1-11,27H,(H,28,29,30)(H,31,32,33)(H,34,35,36)(H,37,38,39)/b24-23+,26-25+ | | Synonyms: | Ponceau S | | Definition date: | 2011-03-01 | | Last modified: | 2020-06-17 | | Identifier: | 3-hydroxy-4-[(E)-{2-sulfo-4-[(E)-(4-sulfophenyl)diazenyl]phenyl}diazenyl]naphthalene-2,7-disulfonic acid |
|
 | | 4JF | | Name: | (1R,1'R,2S,2'S,3R,3'R,5aR,10aR,11a'S)-2'-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11
'-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-L-arabino
-hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1H,1'H-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside | | Formula: | C68 H90 N6 O24 | | SMILES: | c2c(c1C(C=%12C(C(c1c(c2)O)=O)=C4C(C(OC3OC(C(C(C3)O)N(C)C)C)C(C(C4=O)C5C(=O)C=8C(C(C5(CC)OC6CC(OC)C(C(C)O6)O)OC7CC(C(C(O7)C)N(C)C)O)=C(C9C=8C(=O)C%10C(=CCC(=C%10C9=O)O)O)NN)(CC)OC%11OC(C)C(C(C%11)OC)O)C=%12NN)=O)O | | InChi: | InChI=1S/C68H90N6O24/c1-13-67(97-37-21-33(89-11)57(81)25(5)93-37)51(63(87)45-43-47(61(85)41-29(77)17-15-27(75)39(41)59(43)83)53(71-69)49(45)65(67)95-35-19-31(79)55(73(7)8)23(3)91-35)52-64(88)46-44-48(62(86)42-30(78)18-16-28(76)40(42)60(44)84)54(72-70)50(46)66(96-36-20-32(80)56(74(9)10)24(4)92-36)68(52,14-2)98-38-22-34(90-12)58(82)26(6)94-38/h15-17,23-26,31-38,40,48-49,51-52,55-58,65-66,71-72,75-82H,13-14,18-22,69-70H2,1-12H3/t23-,24-,25-,26-,31-,32-,33-,34-,35+,36+,37-,38-,40-,48+,49-,51-,52-,55-,56-,57-,58-,65+,66+,67-,68-/m0/s1 | | Synonyms: | Lomaiviticin A | | Definition date: | 2016-03-18 | | Last modified: | 2020-06-17 | | Release date: | 2016-06-01 | | Identifier: | (1R,1'R,2S,2'S,3R,3'R,5aR,10aR,11a'S)-2'-[(2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranosyl)oxy]-2,2'-diethyl-11,11'-dihydrazinyl-6,6',9,9'-tetrahydroxy-4,4',5,5',10,10'-hexaoxo-1,1'-bis{[2,4,6-trideoxy-4-(dimethylamino)-beta-L-arabino-hexopyranosyl]oxy}[2,2',3,3',4,4',5,5',5a,8,10,10',10a,11a'-tetradecahydro-1H,1'H-[3,3'-bibenzo[b]fluorene]]-2-yl 2,6-dideoxy-3-O-methyl-alpha-L-arabino-hexopyranoside |
|
 | | QWE | | Name: | amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-oxo-5-{(2R)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]pip
eridin-1-yl}pentyl]amino}methaniminium | | Formula: | C29 H40 N7 O4 S2 | | SMILES: | O=C(c1nccs1)CCC4N(C(=O)C(NS(=O)(=O)c3c2cccc(N(C)C)c2ccc3)CCCNC(=[NH2+])N)CCCC4 | | InChi: | InChI=1S/C29H39N7O4S2/c1-35(2)24-12-5-10-22-21(24)9-6-13-26(22)42(39,40)34-23(11-7-16-33-29(30)31)28(38)36-18-4-3-8-20(36)14-15-25(37)27-32-17-19-41-27/h5-6,9-10,12-13,17,19-20,23,34H,3-4,7-8,11,14-16,18H2,1-2H3,(H4,30,31,33)/p+1/t20-,23+/m1/s1 | | Synonyms: | RWJ-50215 | | Definition date: | 2009-07-02 | | Last modified: | 2020-06-17 | | Identifier: | amino{[(4S)-4-({[5-(dimethylamino)naphthalen-1-yl]sulfonyl}amino)-5-oxo-5-{(2R)-2-[3-oxo-3-(1,3-thiazol-2-yl)propyl]piperidin-1-yl}pentyl]amino}methaniminium |
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 | | 4KL | | Name: | Xanthuric acid | | Formula: | C10 H7 N O4 | | SMILES: | Oc1cc(C(O)=O)nc2c1cccc2O | | InChi: | InChI=1S/C10H7NO4/c12-7-3-1-2-5-8(13)4-6(10(14)15)11-9(5)7/h1-4,12H,(H,11,13)(H,14,15) | | Synonyms: | Xanthurenate | | Definition date: | 2015-03-31 | | Last modified: | 2020-06-17 | | Release date: | 2015-11-18 | | Identifier: | 4,8-dihydroxyquinoline-2-carboxylic acid |
|
 | | 4KO | | Name: | (6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia
-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | | Formula: | C15 H17 N7 O5 S3 | | SMILES: | N#CCSCC(=O)NC3(OC)C(=O)N2C(=C(CSc1nnnn1C)CSC23)C(=O)O | | InChi: | InChI=1S/C15H17N7O5S3/c1-21-14(18-19-20-21)30-6-8-5-29-13-15(27-2,17-9(23)7-28-4-3-16)12(26)22(13)10(8)11(24)25/h13H,4-7H2,1-2H3,(H,17,23)(H,24,25)/t13-,15+/m1/s1 | | Synonyms: | Cefmetazole | | Definition date: | 2013-05-13 | | Last modified: | 2020-06-17 | | Release date: | 2013-06-05 | | Identifier: | (6R,7S)-7-({[(cyanomethyl)sulfanyl]acetyl}amino)-7-methoxy-3-{[(1-methyl-1H-tetrazol-5-yl)sulfanyl]methyl}-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
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 | | 4KR | | Name: | 7-aminocephalosporanic acid | | Formula: | C10 H12 N2 O5 S | | SMILES: | O=C(O)C=1N2C(=O)C(N)C2SCC=1COC(=O)C | | InChi: | InChI=1S/C10H12N2O5S/c1-4(13)17-2-5-3-18-9-6(11)8(14)12(9)7(5)10(15)16/h6,9H,2-3,11H2,1H3,(H,15,16)/t6-,9-/m1/s1 | | Synonyms: | (6R,7R)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid | | Definition date: | 2013-05-29 | | Last modified: | 2020-06-17 | | Release date: | 2013-06-05 | | Identifier: | (6R,7R)-3-[(acetyloxy)methyl]-7-amino-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid |
|
 | | 4LS | | Name: | 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono
-D-ribitol | | Formula: | C22 H31 N4 O9 P | | SMILES: | C=12N(c3c(N(CC(C(C(COP(=O)(O)O)O)O)O)C=1NC(=O)NC2=O)cc(C)c(C)c3)CC=C(/C)C | | InChi: | InChI=1S/C22H31N4O9P/c1-11(2)5-6-25-14-7-12(3)13(4)8-15(14)26(20-18(25)21(30)24-22(31)23-20)9-16(27)19(29)17(28)10-35-36(32,33)34/h5,7-8,16-17,19,27-29H,6,9-10H2,1-4H3,(H2,32,33,34)(H2,23,24,30,31)/t16-,17+,19-/m0/s1 | | Synonyms: | dimethylallyl FMN | | Definition date: | 2015-04-14 | | Last modified: | 2020-06-17 | | Release date: | 2015-06-17 | | Identifier: | 1-deoxy-1-[7,8-dimethyl-5-(3-methylbut-2-en-1-yl)-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-5-O-phosphono-D-ribitol |
|
 | | 4LU | | Name: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-y
l)-D-ribitol | | Formula: | C22 H30 N4 O9 P | | SMILES: | c1c3c4c(c(c1C)C)C(C)(CC=[N+]4C2=C(NC(NC2=O)=O)N3CC(C(C(O)COP(O)(O)=O)O)O)C | | InChi: | InChI=1S/C22H29N4O9P/c1-10-7-12-16-15(11(10)2)22(3,4)5-6-25(16)17-19(23-21(31)24-20(17)30)26(12)8-13(27)18(29)14(28)9-35-36(32,33)34/h6-7,13-14,18,27-29H,5,8-9H2,1-4H3,(H3-,23,24,30,31,32,33,34)/p+1/t13-,14+,18-/m0/s1 | | Synonyms: | prenylated-FMN iminium form | | Definition date: | 2015-04-14 | | Last modified: | 2020-06-17 | | Release date: | 2015-06-17 | | Identifier: | 1-deoxy-5-O-phosphono-1-(3,3,4,5-tetramethyl-9,11-dioxo-2,3,8,9,10,11-hexahydro-7H-quinolino[1,8-fg]pteridin-12-ium-7-yl)-D-ribitol |
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 | | 4M4 | | Name: | 2-Methoxy-4-vinylphenol | | Formula: | C9 H10 O2 | | SMILES: | c1(O)c(OC)cc(cc1)C=C | | InChi: | InChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3 | | Synonyms: | 4-vinyl guaiacol | | Definition date: | 2015-04-15 | | Last modified: | 2020-06-17 | | Release date: | 2015-06-17 | | Identifier: | 4-ethenyl-2-methoxyphenol |
|
 | | QYM | | Name: | (9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol | | Formula: | C28 H37 N O3 | | SMILES: | c1c3c(cc(c1)O)CCC4C2CCC(C2(CC(C34)c5ccc(cc5)OCCN(C)C)C)O | | InChi: | InChI=1S/C28H37NO3/c1-28-17-24(18-4-8-21(9-5-18)32-15-14-29(2)3)27-22-11-7-20(30)16-19(22)6-10-23(27)25(28)12-13-26(28)31/h4-5,7-9,11,16,23-27,30-31H,6,10,12-15,17H2,1-3H3/t23-,24+,25-,26-,27-,28-/m0/s1 | | Synonyms: | RU39411 | | Definition date: | 2020-01-15 | | Last modified: | 2020-06-17 | | Release date: | 2020-01-29 | | Identifier: | (9beta,11beta,17beta)-11-{4-[2-(dimethylamino)ethoxy]phenyl}estra-1,3,5(10)-triene-3,17-diol |
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 | | 4MJ | | Name: | 1-deoxy-5-O-phosphono-1-[(1S)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1
,8-fg]pteridin-7-yl]-D-ribitol | | Formula: | C30 H37 N4 O10 P | | SMILES: | c2c5N(C=1NC(NC(C=1N3c5c(c(c2C)C)C(C)(CC3C(=O)Cc4ccccc4)C)=O)=O)CC(C(C(COP(O)(O)=O)O)O)O | | InChi: | InChI=1S/C30H37N4O10P/c1-15-10-18-24-23(16(15)2)30(3,4)12-19(20(35)11-17-8-6-5-7-9-17)34(24)25-27(31-29(40)32-28(25)39)33(18)13-21(36)26(38)22(37)14-44-45(41,42)43/h5-10,19,21-22,26,36-38H,11-14H2,1-4H3,(H2,41,42,43)(H2,31,32,39,40)/t19-,21-,22+,26-/m0/s1 | | Synonyms: | phenylpyruvate derived adduct to prenylated FMN cofactor | | Definition date: | 2015-04-16 | | Last modified: | 2020-06-17 | | Release date: | 2015-06-17 | | Identifier: | 1-deoxy-5-O-phosphono-1-[(1S)-3,3,4,5-tetramethyl-9,11-dioxo-1-(phenylacetyl)-2,3,8,9,10,11-hexahydro-1H,7H-quinolino[1,8-fg]pteridin-7-yl]-D-ribitol |
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 | | 4ML | | Name: | [(2S)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid | | Formula: | C7 H8 O4 | | SMILES: | O=C1OC(C=C1)(CC(=O)O)C | | InChi: | InChI=1S/C7H8O4/c1-7(4-5(8)9)3-2-6(10)11-7/h2-3H,4H2,1H3,(H,8,9)/t7-/m1/s1 | | Synonyms: | 4-methylmuconolactone | | Definition date: | 2009-05-14 | | Last modified: | 2020-06-17 | | Identifier: | [(2S)-2-methyl-5-oxo-2,5-dihydrofuran-2-yl]acetic acid |
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 | | 4MS | | Name: | N-({3-[(5S)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzis
othiazol-7-yl}methyl)methanesulfonamide | | Formula: | C24 H25 Cl F N3 O6 S2 | | SMILES: | Fc1ccc(cc1Cl)CN4C(=O)C(C3=NS(=O)(=O)c2c(cccc23)CNS(=O)(=O)C)=C(O)C4C(C)(C)C | | InChi: | InChI=1S/C24H25ClFN3O6S2/c1-24(2,3)22-20(30)18(23(31)29(22)12-13-8-9-17(26)16(25)10-13)19-15-7-5-6-14(11-27-36(4,32)33)21(15)37(34,35)28-19/h5-10,22,27,30H,11-12H2,1-4H3/t22-/m1/s1 | | Synonyms: | N-{3-[5-tert-Butyl-1-(3-chloro-4-fluoro-benzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxo-1H-1lambda6-benzo
[d]isothiazol-7-ylmethyl}-methanesulfonamide | | Definition date: | 2008-06-10 | | Last modified: | 2020-06-17 | | Identifier: | N-({3-[(5S)-5-tert-butyl-1-(3-chloro-4-fluorobenzyl)-4-hydroxy-2-oxo-2,5-dihydro-1H-pyrrol-3-yl]-1,1-dioxido-1,2-benzisothiazol-7-yl}methyl)methanesulfonamide |
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