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UD6
UD6
表記:[[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(2-oxidanylidenepropyl)oxan-2-yl] hydrogen phosphate
組成式:C18 H28 N2 O17 P2
SMILES:O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3CC(=O)C)CO)O)O
InChi:InChI=1S/C18H28N2O17P2/c1-7(22)4-8-12(24)13(25)9(5-21)35-17(8)36-39(31,32)37-38(29,30)33-6-10-14(26)15(27)16(34-10)20-3-2-11(23)19-18(20)28/h2-3,8-10,12-17,21,24-27H,4-6H2,1H3,(H,29,30)(H,31,32)(H,19,23,28)/t8-,9-,10-,12-,13+,14-,15-,16-,17-/m1/s1
別名:UDP-2-ketoGlc
定義日:2011-05-11
最終更新日:2020-06-17
識別子（ID）:(2R,3R,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(2-oxopropyl)tetrahydro-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)
UDM
UDM
表記:URIDINE-DIPHOSPHATE-METHYLENE-N-ACETYL-GLUCOSAMINE
組成式:C18 H29 N3 O16 P2
SMILES:CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1C[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O
InChi:InChI=1S/C18H29N3O16P2/c1-7(23)19-12-10(35-8(4-22)13(25)15(12)27)6-38(30,31)37-39(32,33)34-5-9-14(26)16(28)17(36-9)21-3-2-11(24)20-18(21)29/h2-3,8-10,12-17,22,25-28H,4-6H2,1H3,(H,19,23)(H,30,31)(H,32,33)(H,20,24,29)/t8-,9-,10-,12+,13-,14-,15-,16-,17-/m1/s1
別名:((2S,3R,4R,5S,6R)-3-ACETAMIDO-4,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-2-YL)METHYLPHOSPHONIC (((2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-3,4-DIHYDROXY-TETRAHYDROFURAN-2-YL)METHYL PHOSPHORIC) ANHYDRIDE
定義日:2005-09-21
最終更新日:2020-06-17
識別子（ID）:[(2S,3R,4R,5S,6R)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]methyl-[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-phosphinic acid
9TP
9TP
表記:(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol -5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside
組成式:C32 H32 O13 S
SMILES:O=C1OCC8C1C(c2cc(OC)c(O)c(OC)c2)c4cc3OCOc3cc4C8OC6OC5COC(OC5C(O)C6O)c7sccc7
InChi:InChI=1S/C32H32O13S/c1-37-19-6-13(7-20(38-2)25(19)33)23-14-8-17-18(42-12-41-17)9-15(14)28(16-10-39-30(36)24(16)23)44-32-27(35)26(34)29-21(43-32)11-40-31(45-29)22-4-3-5-46-22/h3-9,16,21,23-24,26-29,31-35H,10-12H2,1-2H3/t16-,21+,23+,24-,26+,27+,28+,29+,31+,32-/m0/s1
別名:Teniposide
定義日:2013-07-01
最終更新日:2020-06-17
公開日:2013-07-24
識別子（ID）:(5S,5aR,8aR,9R)-9-(4-hydroxy-3,5-dimethoxyphenyl)-8-oxo-5,5a,6,8,8a,9-hexahydrofuro[3',4':6,7]naphtho[2,3-d][1,3]dioxol-5-yl 4,6-O-(thiophen-2-ylmethylidene)-beta-D-glucopyranoside
434
434
表記:SPIRO[3-CARBOXY-4-{(4-[1,2,3]THIADIAZOL-4-YL-PHENYL)-AMINO-CARBONYL} -5-[3,4-DICHLORO-PHENYL]-TETRAHYDROFURAN-2,2'-5-METHYL-INDAN-1,3-DIONE]
組成式:C29 H19 Cl2 N3 O6 S
SMILES:Clc1ccc(cc1Cl)C6OC3(C(=O)c2ccc(cc2C3=O)C)C(C(=O)O)C6C(=O)Nc5ccc(c4nnsc4)cc5
InChi:InChI=1S/C29H19Cl2N3O6S/c1-13-2-8-17-18(10-13)26(36)29(25(17)35)23(28(38)39)22(24(40-29)15-5-9-19(30)20(31)11-15)27(37)32-16-6-3-14(4-7-16)21-12-41-34-33-21/h2-12,22-24H,1H3,(H,32,37)(H,38,39)/t22-,23-,24-,29+/m0/s1
別名:BILH 434
定義日:2003-11-10
最終更新日:2020-06-17
識別子（ID）:(2R,3R,4S,5R)-5-(3,4-dichlorophenyl)-5'-methyl-1',3'-dioxo-4-{[4-(1,2,3-thiadiazol-4-yl)phenyl]carbamoyl}-1',3',4,5-tetrahydro-3H-spiro[furan-2,2'-indene]-3-carboxylic acid
45D
45D
表記:beta,beta-carotene-4,4'-dione
組成式:C40 H52 O2
SMILES:O=C2C(=C(C=CC(=CC=CC(=CC=CC=C(C=CC=C(C=CC1=C(C(=O)CCC1(C)C)C)C)C)C)C)C(C)(C)CC2)C
InChi:InChI=1S/C40H52O2/c1-29(17-13-19-31(3)21-23-35-33(5)37(41)25-27-39(35,7)8)15-11-12-16-30(2)18-14-20-32(4)22-24-36-34(6)38(42)26-28-40(36,9)10/h11-24H,25-28H2,1-10H3/b12-11+,17-13+,18-14+,23-21+,24-22+,29-15+,30-16+,31-19+,32-20+
別名:Isomer of Canthaxanthin
定義日:2015-02-09
最終更新日:2020-06-17
公開日:2015-07-15
識別子（ID）:beta,beta-carotene-4,4'-dione
A03
A03
表記:(10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamido propyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide
組成式:C37 H63 N17 O9
SMILES:O=C(N)C(NC(=O)C(NC(=O)CCCCCNC(=O)C(NC(=O)CCCCCNC(=O)C3OC(n2cnc1c(ncnc12)N)C(O)C3O)C)CCCNC(=[N@H])N)CCCNC(=[N@H])N
InChi:InChI=1S/C37H63N17O9/c1-20(51-23(55)12-4-2-7-15-45-34(62)28-26(57)27(58)35(63-28)54-19-50-25-29(38)48-18-49-31(25)54)32(60)44-14-6-3-5-13-24(56)52-22(11-9-17-47-37(42)43)33(61)53-21(30(39)59)10-8-16-46-36(40)41/h18-22,26-28,35,57-58H,2-17H2,1H3,(H2,39,59)(H,44,60)(H,45,62)(H,51,55)(H,52,56)(H,53,61)(H2,38,48,49)(H4,40,41,46)(H4,42,43,47)/t20-,21-,22-,26+,27-,28+,35-/m1/s1
別名:ARC-1039
定義日:2010-05-27
最終更新日:2020-06-17
識別子（ID）:(10R,20R,23R)-1-[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]-20,23-bis(3-carbamimidamidopropyl)-10-methyl-1,8,11,18,21-pentaoxo-2,9,12,19,22-pentaazatetracosan-24-amide (non-preferred name)
A0B
A0B
表記:Phloxine B
組成式:C20 H3 Br4 Cl4 O5
SMILES:OC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C2=C3C=C(Br)C(=O)C(=C3Oc4c(Br)c([O-])c(Br)cc24)Br
InChi:InChI=1S/C20H4Br4Cl4O5/c21-5-1-3-7(8-9(20(31)32)13(26)15(28)14(27)12(8)25)4-2-6(22)17(30)11(24)19(4)33-18(3)10(23)16(5)29/h1-2,29H,(H,31,32)/p-1
別名:Cyanosine
定義日:2017-08-08
最終更新日:2020-06-17
公開日:2018-03-07
識別子（ID）:2,4,5,7-tetrakis(bromanyl)-9-[2-carboxy-3,4,5,6-tetrakis(chloranyl)phenyl]-6-oxidanylidene-xanthen-3-olate
478
478
表記:{3-[(4-AMINO-BENZENESULFONYL)-ISOBUTYL-AMINO]-1-BENZYL-2-HYDROXY-PROPYL}-CARBAMIC ACID TETRAHYDRO-FURAN-3-YL ESTER
組成式:C25 H35 N3 O6 S
SMILES:O=C(OC1CCOC1)NC(Cc2ccccc2)C(O)CN(CC(C)C)S(=O)(=O)c3ccc(N)cc3
InChi:InChI=1S/C25H35N3O6S/c1-18(2)15-28(35(31,32)22-10-8-20(26)9-11-22)16-24(29)23(14-19-6-4-3-5-7-19)27-25(30)34-21-12-13-33-17-21/h3-11,18,21,23-24,29H,12-17,26H2,1-2H3,(H,27,30)/t21-,23-,24+/m0/s1
別名:Amprenavir
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:(3S)-tetrahydrofuran-3-yl [(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-methylpropyl)amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
A1E
A1E
表記:(5R)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE
組成式:C32 H44 N4 O
SMILES:O=C1C=CC2=C(N1)CCCC2NCCCCCCCCCCNc3c5ccccc5nc4c3CCCC4
InChi:InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)/t27-/m1/s1
別名:(R)-N-9 -(1 ,2 ,3 ,4 -TETRAHYDROACRIDINYL)-N'-5 -[5 ,6 ,7 ,8 -TETRAHYDRO-2'(1'H)-QUINOLINONYL]-1,10-DIAMINODECANE
定義日:2005-04-29
最終更新日:2020-06-17
識別子（ID）:(5R)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1H)-one
A1S
A1S
表記:isopentyl-Coenzyme A
組成式:C26 H46 N7 O16 P3 S
SMILES:C(SCCNC(CCNC(C(C(COP(OP(OCC3C(OP(O)(O)=O)C(O)C(n1cnc2c(ncnc12)N)O3)(O)=O)(O)=O)(C)C)O)=O)=O)CC(C)C
InChi:InChI=1S/C26H46N7O16P3S/c1-15(2)6-9-53-10-8-28-17(34)5-7-29-24(37)21(36)26(3,4)12-46-52(43,44)49-51(41,42)45-11-16-20(48-50(38,39)40)19(35)25(47-16)33-14-32-18-22(27)30-13-31-23(18)33/h13-16,19-21,25,35-36H,5-12H2,1-4H3,(H,28,34)(H,29,37)(H,41,42)(H,43,44)(H2,27,30,31)(H2,38,39,40)/t16-,19-,20-,21+,25-/m1/s1
別名:isopentyl-CoA
定義日:2017-07-05
最終更新日:2020-06-17
公開日:2017-08-23
識別子（ID）:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-2,2-dimethyl-4-{[3-({2-[(3-methylbutyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-4-oxobutyl dihydrogen diphosphate (non-preferred name)
A22
A22
表記:[(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL [(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE
組成式:C20 H27 N10 O16 P3
SMILES:O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC6OC(n5cnc4c(ncnc45)N)C(OP(=O)(O)O)C6O
InChi:InChI=1S/C20H27N10O16P3/c21-15-9-17(25-3-23-15)29(5-27-9)19-13(33)11(31)7(43-19)1-41-48(37,38)46-49(39,40)42-2-8-12(32)14(45-47(34,35)36)20(44-8)30-6-28-10-16(22)24-4-26-18(10)30/h3-8,11-14,19-20,31-33H,1-2H2,(H,37,38)(H,39,40)(H2,21,23,25)(H2,22,24,26)(H2,34,35,36)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
別名:2'-PHOSPHATE BIS(ADENOSINE)-5'-DIPHOSPHATE
定義日:2006-10-25
最終更新日:2020-06-17
識別子（ID）:[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl [(2R,3R,4R,5R)-5-(6-amino-9H-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
A2E
A2E
表記:(5S)-5-{[10-(1,2,3,4-TETRAHYDROACRIDIN-9-YLAMINO)DECYL]AMINO}-5,6,7,8-TETRAHYDROQUINOLIN-2(1H)-ONE
組成式:C32 H44 N4 O
SMILES:O=C1C=CC2=C(N1)CCCC2NCCCCCCCCCCNc3c5ccccc5nc4c3CCCC4
InChi:InChI=1S/C32H44N4O/c37-31-21-20-24-27(18-13-19-28(24)36-31)33-22-11-5-3-1-2-4-6-12-23-34-32-25-14-7-9-16-29(25)35-30-17-10-8-15-26(30)32/h7,9,14,16,20-21,27,33H,1-6,8,10-13,15,17-19,22-23H2,(H,34,35)(H,36,37)/t27-/m0/s1
別名:(S)-N-9 -(1 ,2 ,3 ,4 -TETRAHYDROACRIDINYL)-N'-5 -[5 ,6 ,7 ,8 -TETRAHYDRO-2'(1'H)-QUINOLINONYL]-1,10-DIAMINODECANE
定義日:2005-05-03
最終更新日:2020-06-17
識別子（ID）:(5S)-5-{[10-(1,2,3,4-tetrahydroacridin-9-ylamino)decyl]amino}-5,6,7,8-tetrahydroquinolin-2(1H)-one
FAJ
FAJ
表記:FAD-trans-2-Phenylcyclopropylamine Adduct
組成式: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
別名:FAD-PCPA Adduct
定義日:2013-03-15
最終更新日:2020-06-17
公開日:2013-03-27
識別子（ID）:[(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
表記:[(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
組成式: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
別名:8-FORMYL-FLAVIN-ADENINE DINUCLEOTIDE
定義日:2011-06-02
最終更新日:2020-06-17
識別子（ID）:[(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)
FEC
FEC
表記:1,3,5,8-TETRAMETHYL-PORPHINE-2,4,6,7-TETRAPROPIONIC ACID FERROUS COMPLEX
組成式:C36 H36 Fe N4 O8
SMILES:O=C(O)CCC1=C(C7=[N+]3C1=Cc5c(c(c6C=C8[N+]4=C(C=C2C(=C(C(N2[Fe]34n56)=C7)CCC(=O)O)C)C(=C8C)CCC(=O)O)C)CCC(=O)O)C
InChi:InChI=1S/C36H38N4O8.Fe/c1-17-21(5-9-33(41)42)29-14-27-19(3)22(6-10-34(43)44)30(39-27)15-28-20(4)24(8-12-36(47)48)32(40-28)16-31-23(7-11-35(45)46)18(2)26(38-31)13-25(17)37-29
別名:FE-COPROPORPHYRIN III
定義日:2003-01-31
最終更新日:2020-06-17
識別子（ID）:[3,3',3'',3'''-(3,8,13,17-tetramethylporphyrin-2,7,12,18-tetrayl-kappa~4~N~21~,N~22~,N~23~,N~24~)tetrapropanoato(2-)]iron(2+)
FFO
FFO
表記:N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid
組成式:C20 H23 N7 O7
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)NCC2N(C=O)C=3C(=O)NC(=NC=3NC2)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/h1-4,9,12-13,22H,5-8H2,(H,24,31)(H,29,30)(H,33,34)(H4,21,23,25,26,32)/t12-,13-/m0/s1
別名:[6S]-5-FORMYL-TETRAHYDROFOLATE
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid
FGG
FGG
表記:(2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate
組成式:C20 H35 F O7 P2
SMILES:O=P(O)(O)OP(=O)(OCC(F)=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(/C)C)O
InChi:InChI=1S/C20H35FO7P2/c1-16(2)9-6-10-17(3)11-7-12-18(4)13-8-14-19(5)20(21)15-27-30(25,26)28-29(22,23)24/h9,11,13H,6-8,10,12,14-15H2,1-5H3,(H,25,26)(H2,22,23,24)/b17-11+,18-13+,20-19-
別名:2-fluoro-geranylgeranyl diphosphate
定義日:2010-10-22
最終更新日:2020-06-17
識別子（ID）:(2Z,6E,10E)-2-fluoro-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl trihydrogen diphosphate
FM1
FM1
表記:2-HYDROXYMETHYL-5-(7-METHYLAMINO-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-TETRAHYDRO-FURAN-3,4-DIOL
組成式:C11 H15 N5 O4
SMILES:OC1C(OC(CO)C1O)c3nnc2c3ncnc2NC
InChi:InChI=1S/C11H15N5O4/c1-12-11-7-5(13-3-14-11)6(15-16-7)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,17-19H,2H2,1H3,(H,15,16)(H,12,13,14)/t4-,8-,9-,10+/m1/s1
別名:N7-METHYL-FORMYCIN A
定義日:2001-11-12
最終更新日:2020-06-17
識別子（ID）:(1S)-1,4-anhydro-1-[7-(methylamino)-1H-pyrazolo[4,3-d]pyrimidin-3-yl]-D-ribitol
FM2
FM2
表記:2-(7-AMINO-6-METHYL-3H-PYRAZOLO[4,3-D]PYRIMIDIN-3-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL
組成式:C11 H16 N5 O4
SMILES:OC1C(OC(CO)C1O)c3nnc2c(N)[n+](cnc23)C
InChi:InChI=1S/C11H15N5O4/c1-16-3-13-5-6(14-15-7(5)11(16)12)10-9(19)8(18)4(2-17)20-10/h3-4,8-10,17-19H,2H2,1H3,(H2,12,14,15)/p+1/t4-,8-,9-,10+/m1/s1
別名:6-METHYL-FORMYCIN A
定義日:2001-11-12
最終更新日:2020-06-17
識別子（ID）:(1S)-1-(7-amino-6-methyl-1H-pyrazolo[4,3-d]pyrimidin-6-ium-3-yl)-1,4-anhydro-D-ribitol
1JB
1JB
表記:[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3R,4S,5R,6R)-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate
組成式:C16 H26 N2 O15 P2
SMILES:O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)C)O)O)C
InChi:InChI=1S/C16H26N2O15P2/c1-6-4-18(16(24)17-14(6)23)10-3-8(19)9(31-10)5-29-34(25,26)33-35(27,28)32-15-13(22)12(21)11(20)7(2)30-15/h4,7-13,15,19-22H,3,5H2,1-2H3,(H,25,26)(H,27,28)(H,17,23,24)/t7-,8+,9-,10-,11+,12+,13-,15-/m1/s1
別名:dTDP-fucose
定義日:2013-02-14
最終更新日:2020-06-17
公開日:2013-05-22
識別子（ID）:[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
FNR
FNR
表記:1-DEOXY-1-(7,8-DIMETHYL-2,4-DIOXO-3,4-DIHYDRO-2H-BENZO[G]PTERIDIN-1-ID-10(5H)-YL)-5-O-PHOSPHONATO-D-RIBITOL
組成式:C17 H23 N4 O9 P
SMILES:c23N(C=1NC(=O)NC(=O)C=1Nc2cc(C)c(C)c3)CC(O)C(O)C(O)COP(O)(=O)O
InChi:InChI=1S/C17H23N4O9P/c1-7-3-9-10(4-8(7)2)21(15-13(18-9)16(25)20-17(26)19-15)5-11(22)14(24)12(23)6-30-31(27,28)29/h3-4,11-12,14,18,22-24H,5-6H2,1-2H3,(H2,27,28,29)(H2,19,20,25,26)/t11-,12+,14-/m0/s1
別名:TWO ELECTRON REDUCED FLAVIN MONONUCLEOTIDE
定義日:2006-02-10
最終更新日:2020-06-17
識別子（ID）:1-deoxy-1-(7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl)-5-O-phosphono-D-ribitol
A6G
A6G
表記:2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol
組成式:C11 H16 N5 O8 P
SMILES:O=P(O)(O)OCC3OCC(n2cnc1c2N=C(N)NC1=O)C(O)C3O
InChi:InChI=1S/C11H16N5O8P/c12-11-14-9-6(10(19)15-11)13-3-16(9)4-1-23-5(8(18)7(4)17)2-24-25(20,21)22/h3-5,7-8,17-18H,1-2H2,(H2,20,21,22)(H3,12,14,15,19)/t4-,5-,7+,8-/m1/s1
別名:((2R,3S,4S,5R)-5-(2-amino-6-oxo-1H-purin-9(6H)-yl)-3,4-dihydroxytetrahydro-2H-pyran-2-yl)methyl dihydrogen phosphate
定義日:2010-08-26
最終更新日:2020-06-17
識別子（ID）:2-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-1,5-anhydro-2-deoxy-6-O-phosphono-D-altritol
A7S
A7S
表記:1-(3-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
組成式:C20 H23 F N2 O3 S
SMILES:c1(cc(F)c(C)cc1)CS(Nc3cc2CCC(N(CCC)c2cc3)=O)(=O)=O
InChi:InChI=1S/C20H23FN2O3S/c1-3-10-23-19-8-7-17(12-16(19)6-9-20(23)24)22-27(25,26)13-15-5-4-14(2)18(21)11-15/h4-5,7-8,11-12,22H,3,6,9-10,13H2,1-2H3
別名:AMF1beta
定義日:2017-07-10
最終更新日:2020-06-17
公開日:2017-11-15
識別子（ID）:1-(3-fluoro-4-methylphenyl)-N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)methanesulfonamide
A86
A86
表記:(3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'- yl acetate
組成式:C42 H58 O6
SMILES:CC(=C/C=C/C=C(/C=C/C=C(C)C(=O)CC12C(C)(CC(O)CC1(C)O2)C)C)[C@H]=C[C@H]=C([C@H]=C=C3C(C)(C)CC(CC3(O)C)OC(=O)C)C
InChi:InChI=1S/C42H58O6/c1-29(18-14-19-31(3)22-23-37-38(6,7)26-35(47-33(5)43)27-40(37,10)46)16-12-13-17-30(2)20-15-21-32(4)36(45)28-42-39(8,9)24-34(44)25-41(42,11)48-42/h12-22,34-35,44,46H,24-28H2,1-11H3/b13-12+,18-14+,20-15+,29-16+,30-17+,31-19+,32-21+/t23-,34-,35-,40+,41+,42-/m0/s1
別名:Fucoxanthin
定義日:2018-10-17
最終更新日:2020-06-17
公開日:2019-02-06
識別子（ID）:(3S,3'S,5R,5'R,6S,6'R,8'R)-3,5'-dihydroxy-8-oxo-6',7'-didehydro-5,5',6,6',7,8-hexahydro-5,6-epoxy-beta,beta-caroten-3'-yl acetate
A8B
A8B
表記:N-QUINOLIN-4-YL-N'-(1,2,3,4-TETRAHYDROACRIDIN-9-YL)OCTANE-1,8-DIAMINE
組成式:C30 H36 N4
SMILES:n2c1c(cccc1)c(cc2)NCCCCCCCCNc3c5c(nc4c3CCCC4)cccc5
InChi:InChI=1S/C30H36N4/c1(3-11-20-31-27-19-22-32-26-16-8-5-13-23(26)27)2-4-12-21-33-30-24-14-6-9-17-28(24)34-29-18-10-7-15-25(29)30/h5-6,8-9,13-14,16-17,19,22H,1-4,7,10-12,15,18,20-21H2,(H,31,32)(H,33,34)
別名:TACRINE(8)-4-AMINOQUINOLINE
定義日:2003-02-15
最終更新日:2020-06-17
識別子（ID）:N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine

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