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EX7
EX7
Name:2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol
Formula:C15 H13 Cl N2 O
SMILES:c2c(c3nc(CCc1cc(ccc1)Cl)nc3cc2)O
InChi:InChI=1S/C15H13ClN2O/c16-11-4-1-3-10(9-11)7-8-14-17-12-5-2-6-13(19)15(12)18-14/h1-6,9,19H,7-8H2,(H,17,18)
Synonyms:2-(3-chlorophenethyl)-1H-benzo[d]imidazol-4-ol
Definition date:2018-02-08
Last modified:2020-06-17
Release date:2018-03-14
Identifier:2-[2-(3-chlorophenyl)ethyl]-1H-benzimidazol-7-ol
EXC
EXC
Name:3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-8-hydroxy-7,7,9,9-tetramethyl-7,8,9,11-tetrahydropyrimido[4',5' :5,6][1,4]oxazino[2,3-f]isoindol-2(3H)-one radical
Formula:C21 H26 N4 O9 P
SMILES:O=P(O)(O)OCC5OC(N4C(=O)N=C2C(Oc1cc3c(cc1N2)C(N(O)C3(C)C)(C)C)=C4)CC5O
InChi:InChI=1S/C21H27N4O9P/c1-20(2)10-5-12-14(6-11(10)21(3,4)25(20)28)33-15-8-24(19(27)23-18(15)22-12)17-7-13(26)16(34-17)9-32-35(29,30)31/h5-6,8,13,16-17,26,28H,7,9H2,1-4H3,(H,22,23,27)(H2,29,30,31)/t13-,16+,17+/m0/s1
Synonyms:nitroxide spin-labeled nucleotide C-spin
Definition date:2010-10-19
Last modified:2020-06-17
Identifier:3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-8-hydroxy-7,7,9,9-tetramethyl-7,8,9,11-tetrahydropyrimido[4',5':5,6][1,4]oxazino[2,3-f]isoindol-2(3H)-one
EXX
EXX
Name:4,5,6,7-tetrabromo-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-benzimidazole
Formula:C12 H10 Br4 N2 O3
SMILES:Brc3c1c(ncn1C2OC(C(O)C2)CO)c(Br)c(Br)c3Br
InChi:InChI=1S/C12H10Br4N2O3/c13-7-8(14)10(16)12-11(9(7)15)17-3-18(12)6-1-4(20)5(2-19)21-6/h3-6,19-20H,1-2H2/t4-,5+,6+/m0/s1
Synonyms:Tetrabromo-Deoxyribofuranosyl-Benzimidazole
Definition date:2013-05-30
Last modified:2020-06-17
Release date:2014-04-09
Identifier:4,5,6,7-tetrabromo-1-(2-deoxy-beta-D-erythro-pentofuranosyl)-1H-benzimidazole
EY4
EY4
Name:(3a,5a)-3-Hydroxypregnane-11,20-dione
Formula:C21 H32 O3
SMILES:C32(C4C(CC1(C(CCC1C4CCC2CC(CC3)O)C(=O)C)C)=O)C
InChi:InChI=1S/C21H32O3/c1-12(22)16-6-7-17-15-5-4-13-10-14(23)8-9-20(13,2)19(15)18(24)11-21(16,17)3/h13-17,19,23H,4-11H2,1-3H3/t13-,14+,15-,16+,17-,19+,20-,21+/m0/s1
Synonyms:alphaxalone
Definition date:2018-02-12
Last modified:2020-06-17
Release date:2018-08-22
Identifier:(3beta,5alpha,8alpha,9beta,10alpha)-3-hydroxypregnane-11,20-dione
EZL
EZL
Name:6-ethoxy-1,3-benzothiazole-2-sulfonamide
Formula:C9 H10 N2 O3 S2
SMILES:O=S(=O)(c1nc2ccc(OCC)cc2s1)N
InChi:InChI=1S/C9H10N2O3S2/c1-2-14-6-3-4-7-8(5-6)15-9(11-7)16(10,12)13/h3-5H,2H2,1H3,(H2,10,12,13)
Synonyms:Ethoxzolamide
Definition date:2008-02-21
Last modified:2020-06-17
Identifier:6-ethoxy-1,3-benzothiazole-2-sulfonamide
F01
F01
Name:4-amino-1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-fluoro-pyrimidin-2-one
Formula:C9 H12 F N3 O5
SMILES:FC=1C(=NC(=O)N(C=1)C2OC(C(O)C2O)CO)N
InChi:InChI=1S/C9H12FN3O5/c10-3-1-13(9(17)12-7(3)11)8-6(16)5(15)4(2-14)18-8/h1,4-6,8,14-16H,2H2,(H2,11,12,17)/t4-,5-,6-,8-/m1/s1
Synonyms:4-amino-5-fluoro-1-((2R,3S,4R,5R)-tetrahydro-3,4-dihydroxy-5-(hydroxymethyl)furan-2-yl)pyrimidin-2(1H)-one
Definition date:2008-09-29
Last modified:2020-06-17
Identifier:5-fluorocytidine
F0G
F0G
Name:(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine
Formula:C11 H15 N2 O7 P
SMILES:n1c(c(O)c(C=NC(C(O)=O)C)c(COP(O)(O)=O)c1)C
InChi:InChI=1S/C11H15N2O7P/c1-6-10(14)9(4-13-7(2)11(15)16)8(3-12-6)5-20-21(17,18)19/h3-4,7,14H,5H2,1-2H3,(H,15,16)(H2,17,18,19)/b13-4+/t7-/m0/s1
Synonyms:PLP-Ala
Definition date:2018-02-22
Last modified:2020-06-17
Release date:2018-03-21
Identifier:(E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-alanine
F1J
F1J
Name:(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide
Formula:C14 H20 F N3 O S
SMILES:Fc1ccc(cc1)CN2CC(NCC2)C(=O)NCCS
InChi:InChI=1S/C14H20FN3OS/c15-12-3-1-11(2-4-12)9-18-7-5-16-13(10-18)14(19)17-6-8-20/h1-4,13,16,20H,5-10H2,(H,17,19)/t13-/m0/s1
Synonyms:4-(4-fluoro-benzyl)-piperazine-2-carboxylic acid(2-mercapto-ethyl)-amide
Definition date:2008-03-19
Last modified:2020-06-17
Identifier:(2S)-4-(4-fluorobenzyl)-N-(2-sulfanylethyl)piperazine-2-carboxamide
F1L
F1L
Name:N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
Formula:C18 H27 Br N2 O3 S
SMILES:Brc1cc(c(OC)c(OC)c1)CN2CCC(NC(=O)CCCS)CC2
InChi:InChI=1S/C18H27BrN2O3S/c1-23-16-11-14(19)10-13(18(16)24-2)12-21-7-5-15(6-8-21)20-17(22)4-3-9-25/h10-11,15,25H,3-9,12H2,1-2H3,(H,20,22)
Synonyms:N-[1-(5-bromo-2,3-dimethoxy-benzyl)-piperidin-4-yl]-4-mercapto-butyramide
Definition date:2008-03-20
Last modified:2020-06-17
Identifier:N-[1-(5-bromo-2,3-dimethoxybenzyl)piperidin-4-yl]-4-sulfanylbutanamide
F1M
F1M
Name:N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide
Formula:C24 H32 Cl N3 O6 S
SMILES:O=S(=O)(N)c3ccc(OCC(=O)NC2CCN(Cc1c(OC(C)C)c(OC)cc(Cl)c1)CC2)cc3
InChi:InChI=1S/C24H32ClN3O6S/c1-16(2)34-24-17(12-18(25)13-22(24)32-3)14-28-10-8-19(9-11-28)27-23(29)15-33-20-4-6-21(7-5-20)35(26,30)31/h4-7,12-13,16,19H,8-11,14-15H2,1-3H3,(H,27,29)(H2,26,30,31)
Synonyms:N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(4-sulfamoyl-phenoxy)-acetamide
Definition date:2008-03-11
Last modified:2020-06-17
Identifier:N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(4-sulfamoylphenoxy)acetamide
F1N
F1N
Name:N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide
Formula:C25 H34 Cl N3 O6 S
SMILES:O=S(=O)(N)c3ccc(OCC(=O)NC2CCN(Cc1c(OC(C)C)c(OC)cc(Cl)c1)CC2)c(c3)C
InChi:InChI=1S/C25H34ClN3O6S/c1-16(2)35-25-18(12-19(26)13-23(25)33-4)14-29-9-7-20(8-10-29)28-24(30)15-34-22-6-5-21(11-17(22)3)36(27,31)32/h5-6,11-13,16,20H,7-10,14-15H2,1-4H3,(H,28,30)(H2,27,31,32)
Synonyms:N-[1-(5-chloro-2-isopropoxy-3-methoxy-benzyl)-piperidin-4-yl]-2-(2-methyl-4-sulfamoyl-phenoxy)-acetamide
Definition date:2008-03-23
Last modified:2020-06-17
Identifier:N-{1-[5-chloro-3-methoxy-2-(1-methylethoxy)benzyl]piperidin-4-yl}-2-(2-methyl-4-sulfamoylphenoxy)acetamide
F2M
F2M
Name:(~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine
Formula:C9 H13 N O
SMILES:CC=CN(C)Cc1occc1
InChi:InChI=1S/C9H13NO/c1-3-6-10(2)8-9-5-4-7-11-9/h3-7H,8H2,1-2H3/b6-3+
Synonyms:F2MPA
Definition date:2017-01-03
Last modified:2020-06-17
Release date:2017-01-11
Identifier:(~{E})-~{N}-(furan-2-ylmethyl)-~{N}-methyl-prop-1-en-1-amine
F3H
F3H
Name:1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol
Formula:C11 H16 F N2 O8 P
SMILES:O=P(O)(O)OCC2OCC(N1C(=O)NC(=O)C(=C1)C)C(F)C2O
InChi:InChI=1S/C11H16FN2O8P/c1-5-2-14(11(17)13-10(5)16)6-3-21-7(9(15)8(6)12)4-22-23(18,19)20/h2,6-9,15H,3-4H2,1H3,(H,13,16,17)(H2,18,19,20)/t6-,7-,8+,9-/m1/s1
Synonyms:1,5-anhydro-2,3-dideoxy-3-fluoro-2-(thymin-1-yl)-D-altritol-5-dihydrogenphosphate
Definition date:2011-01-04
Last modified:2020-06-17
Identifier:1,5-anhydro-2,3-dideoxy-3-fluoro-2-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-6-O-phosphono-D-altritol
F3P
F3P
Name:(1S)-1-[(1S)-1-FLUOROETHYL]-1,5-DIMETHYLHEXYL TRIHYDROGEN DIPHOSPHATE
Formula:C10 H23 F O7 P2
SMILES:O=P(OP(=O)(OC(C(F)C)(C)CCCC(C)C)O)(O)O
InChi:InChI=1S/C10H23FO7P2/c1-8(2)6-5-7-10(4,9(3)11)17-20(15,16)18-19(12,13)14/h8-9H,5-7H2,1-4H3,(H,15,16)(H2,12,13,14)/t9?,10-/m0/s1
Synonyms:2-FLUOROLINALYL DIPHOSPHATE
Definition date:2007-01-24
Last modified:2020-06-17
Identifier:(1S)-1-[(1S)-1-fluoroethyl]-1,5-dimethylhexyl trihydrogen diphosphate
F4M
F4M
Name:1-[4-({(1R)-1-[(6S,7R)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5 -O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol
Formula:C31 H45 N6 O17 P
SMILES:O=C2N=C(N)NC=1NC(C)C(N(C=O)C=12)C(Nc3ccc(cc3)CC(O)C(O)C(O)COC4OC(C(O)C4O)COP(=O)(OC(C(=O)O)CCC(=O)O)O)C
InChi:InChI=1S/C31H45N6O17P/c1-13(22-14(2)34-27-23(37(22)12-38)28(46)36-31(32)35-27)33-16-5-3-15(4-6-16)9-17(39)24(43)18(40)10-51-30-26(45)25(44)20(53-30)11-52-55(49,50)54-19(29(47)48)7-8-21(41)42/h3-6,12-14,17-20,22,24-26,30,33,39-40,43-45H,7-11H2,1-2H3,(H,41,42)(H,47,48)(H,49,50)(H4,32,34,35,36,46)/t13-,14?,17+,18-,19-,20-,22?,24+,25-,26-,30+/m1/s1
Synonyms:N5-formyl-tetrahydromethanopterin
Definition date:2012-09-20
Last modified:2020-06-17
Release date:2012-10-26
Identifier:1-[4-({(1R)-1-[(6S,7R)-2-amino-5-formyl-7-methyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]ethyl}amino)phenyl]-1-deoxy-5-O-{5-O-[(R)-{[(1R)-1,3-dicarboxypropyl]oxy}(hydroxy)phosphoryl]-alpha-D-ribofuranosyl}-D-ribitol
F5P
F5P
Name:(2R,3R,4S,5R,6S)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate
Formula:C17 H28 N4 O15 P2
SMILES:C(OP(OP(OC1C(NC(C)=O)C(C(N)C(C)O1)O)(O)=O)(O)=O)C3C(C(C(N2C(NC(=O)C=C2)=O)O3)O)O
InChi:InChI=1S/C17H28N4O15P2/c1-6-10(18)13(25)11(19-7(2)22)16(33-6)35-38(30,31)36-37(28,29)32-5-8-12(24)14(26)15(34-8)21-4-3-9(23)20-17(21)27/h3-4,6,8,10-16,24-26H,5,18H2,1-2H3,(H,19,22)(H,28,29)(H,30,31)(H,20,23,27)/t6-,8+,10-,11+,12+,13-,14+,15+,16+/m0/s1
Synonyms:UDP-4-amino-4,6-dideoxy-L-AltNAc
Definition date:2018-02-28
Last modified:2020-06-17
Release date:2018-10-17
Identifier:(2R,3R,4S,5R,6S)-3-(acetylamino)-5-amino-4-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
F6F
F6F
Name:2-{[4-(TRIFLUOROMETHOXY)BENZOYL]AMINO}ETHYL DIHYDROGEN PHOSPHATE
Formula:C10 H11 F3 N O6 P
SMILES:FC(F)(F)Oc1ccc(cc1)C(=O)NCCOP(=O)(O)O
InChi:InChI=1S/C10H11F3NO6P/c11-10(12,13)20-8-3-1-7(2-4-8)9(15)14-5-6-19-21(16,17)18/h1-4H,5-6H2,(H,14,15)(H2,16,17,18)
Synonyms:N-(4'-TRIFLUOROMETHOXYBENZOYL)-2-AMINO-1-ETHYLPHOSPHATE, F6
Definition date:2004-08-04
Last modified:2020-06-17
Identifier:2-({[4-(trifluoromethoxy)phenyl]carbonyl}amino)ethyl dihydrogen phosphate
F83
F83
Name:(3R)-N-(4-CHLOROPHENYL)-3-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-7-SULFONAMIDE
Formula:C16 H17 Cl N2 O3 S
SMILES:Clc1ccc(cc1)NS(=O)(=O)c2ccc3c(c2)CNC(C3)CO
InChi:InChI=1S/C16H17ClN2O3S/c17-13-2-4-14(5-3-13)19-23(21,22)16-6-1-11-7-15(10-20)18-9-12(11)8-16/h1-6,8,15,18-20H,7,9-10H2/t15-/m1/s1
Synonyms:3-HYDROXYMETHYL-7-(N-4-CHLOROPHENYLAMINOSULFONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE
Definition date:2006-03-09
Last modified:2020-06-17
Identifier:(3R)-N-(4-chlorophenyl)-3-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinoline-7-sulfonamide
F8P
F8P
Name:2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
Formula:C19 H16 F2 N2 O4
SMILES:c4(c(cc3c(Oc2ccc(C1CCC(F)(CC1)F)cc2C3=O)n4)C(O)=O)N
InChi:InChI=1S/C19H16F2N2O4/c20-19(21)5-3-9(4-6-19)10-1-2-14-11(7-10)15(24)12-8-13(18(25)26)16(22)23-17(12)27-14/h1-2,7-9H,3-6H2,(H2,22,23)(H,25,26)
Synonyms:7-(4,4-difluorocyclohexyl) Analog of Amlexanox
Definition date:2018-03-15
Last modified:2020-06-17
Release date:2018-12-05
Identifier:2-amino-7-(4,4-difluorocyclohexyl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
F8S
F8S
Name:2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
Formula:C18 H16 N2 O6 S
SMILES:c4(c(cc3c(Oc1c(cc(cc1)C2CCS(CC2)(=O)=O)C3=O)n4)C(O)=O)N
InChi:InChI=1S/C18H16N2O6S/c19-16-13(18(22)23)8-12-15(21)11-7-10(1-2-14(11)26-17(12)20-16)9-3-5-27(24,25)6-4-9/h1-2,7-9H,3-6H2,(H2,19,20)(H,22,23)
Synonyms:7-[1,1-bis(oxidanylidene)thian-4-yl Analog of Amlexanox
Definition date:2018-03-15
Last modified:2020-06-17
Release date:2018-12-05
Identifier:2-amino-7-(1,1-dioxo-1lambda~6~-thian-4-yl)-5-oxo-5H-[1]benzopyrano[2,3-b]pyridine-3-carboxylic acid
F94
F94
Name:7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one
Formula:C15 H10 O4
SMILES:O=C1c3c(OC(=C1)c2cccc(O)c2)cc(O)cc3
InChi:InChI=1S/C15H10O4/c16-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(17)7-15(12)19-14/h1-8,16-17H
Synonyms:7,3-dihydroxyflavone
Definition date:2012-10-23
Last modified:2020-06-17
Release date:2012-10-26
Identifier:7-hydroxy-2-(3-hydroxyphenyl)-4H-chromen-4-one
F9F
F9F
Name:2-({[4-(TRIFLUOROMETHOXY)PHENYL]SULFONYL}AMINO)ETHYL DIHYDROGEN PHOSPHATE
Formula:C9 H11 F3 N O7 P S
SMILES:FC(F)(F)Oc1ccc(cc1)S(=O)(=O)NCCOP(=O)(O)O
InChi:InChI=1S/C9H11F3NO7PS/c10-9(11,12)20-7-1-3-8(4-2-7)22(17,18)13-5-6-19-21(14,15)16/h1-4,13H,5-6H2,(H2,14,15,16)
Synonyms:N-(4'-TRIFLUOROMETHOXYBENZENESULFONYL)-2-AMINO-1-ETHYLPHOSPHATE, F9
Definition date:2004-08-04
Last modified:2020-06-17
Identifier:2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate
F9P
F9P
Name:N-hydroxycyclohexanecarboxamide
Formula:C7 H13 N O2
SMILES:C1CCCCC1C(NO)=O
InChi:InChI=1S/C7H13NO2/c9-7(8-10)6-4-2-1-3-5-6/h6,10H,1-5H2,(H,8,9)
Synonyms:cyclohexylhydroxamate
Definition date:2018-03-22
Last modified:2020-06-17
Release date:2018-05-30
Identifier:N-hydroxycyclohexanecarboxamide
FAJ
FAJ
Name:FAD-trans-2-Phenylcyclopropylamine Adduct
Formula:C36 H43 N9 O16 P2
SMILES:O=C4NC(=O)N=C5N(c1cc(c(cc1N3C(O)CC(c2ccccc2)C345)C)C)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC8OC(n7cnc6c(ncnc67)N)C(O)C8O
InChi:InChI=1S/C36H43N9O16P2/c1-16-8-20-21(9-17(16)2)45-25(48)10-19(18-6-4-3-5-7-18)36(45)33(41-35(53)42-34(36)52)43(20)11-22(46)27(49)23(47)12-58-62(54,55)61-63(56,57)59-13-24-28(50)29(51)32(60-24)44-15-40-26-30(37)38-14-39-31(26)44/h3-9,14-15,19,22-25,27-29,32,46-51H,10-13H2,1-2H3,(H,54,55)(H,56,57)(H2,37,38,39)(H,42,52,53)/t19-,22+,23-,24-,25-,27+,28-,29-,32-,36+/m1/s1
Synonyms:FAD-PCPA Adduct
Definition date:2013-03-15
Last modified:2020-06-17
Release date:2013-03-27
Identifier:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-phenyl-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name)
FAY
FAY
Name:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(8-formyl-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate
Formula:C27 H31 N9 O16 P2
SMILES:O=Cc2c(cc3N=C1C(=O)NC(=O)N=C1N(c3c2)CC(O)C(O)C(O)COP(=O)(O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(O)C6O)C
InChi:InChI=1S/C27H31N9O16P2/c1-10-2-12-13(3-11(10)5-37)35(24-18(32-12)25(43)34-27(44)33-24)4-14(38)19(40)15(39)6-49-53(45,46)52-54(47,48)50-7-16-20(41)21(42)26(51-16)36-9-31-17-22(28)29-8-30-23(17)36/h2-3,5,8-9,14-16,19-21,26,38-42H,4,6-7H2,1H3,(H,45,46)(H,47,48)(H2,28,29,30)(H,34,43,44)/t14-,15+,16+,19-,20+,21+,26+/m0/s1
Synonyms:8-FORMYL-FLAVIN-ADENINE DINUCLEOTIDE
Definition date:2011-06-02
Last modified:2020-06-17
Identifier:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-(8-formyl-7-methyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl)-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name)

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