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ZES
ZES
表記:[3-(4-BROMO-2-FLUORO-BENZYL)-7-CHLORO-2,4-DIOXO-3,4-DIHYDRO-2H-QUINAZOLIN-1-YL]-ACETIC ACID
組成式:C17 H11 Br Cl F N2 O4
SMILES:Brc1ccc(c(F)c1)CN3C(=O)c2c(cc(Cl)cc2)N(C3=O)CC(=O)O
InChi:InChI=1S/C17H11BrClFN2O4/c18-10-2-1-9(13(20)5-10)7-22-16(25)12-4-3-11(19)6-14(12)21(17(22)26)8-15(23)24/h1-6H,7-8H2,(H,23,24)
定義日:2001-04-11
最終更新日:2011-06-04
識別子（ID）:[3-(4-bromo-2-fluorobenzyl)-7-chloro-2,4-dioxo-3,4-dihydroquinazolin-1(2H)-yl]acetic acid
UPU
UPU
表記:[(2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4R,5R)-5-(2,4-DIOXO-3,4-DIHYDROPYRIMIDIN-1(2H)-YL)-4-HYDROXY-2-(HYDROXYMETHYL)TETRAHYDROFURAN-3-YL HYDROGEN (S)-PHOSPHATE
組成式:C18 H23 N4 O14 P
SMILES:O=C1C=CN(C(=O)N1)C4OC(CO)C(OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C=C2)C(O)C3O)C4O
InChi:InChI=1S/C18H23N4O14P/c23-5-7-14(13(28)16(34-7)22-4-2-10(25)20-18(22)30)36-37(31,32)33-6-8-11(26)12(27)15(35-8)21-3-1-9(24)19-17(21)29/h1-4,7-8,11-16,23,26-28H,5-6H2,(H,31,32)(H,19,24,29)(H,20,25,30)/t7-,8-,11-,12-,13-,14-,15-,16-/m1/s1
定義日:2007-05-24
最終更新日:2011-06-04
識別子（ID）:[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (S)-phosphate (non-preferred name)
KKK
KKK
表記:1-acetyl-4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy}phenyl)piperazine
組成式:C26 H28 Cl2 N4 O4
SMILES:CC(=O)N1CCN(CC1)c2ccc(OC[CH]3CO[C](Cn4ccnc4)(O3)c5ccc(Cl)cc5Cl)cc2
InChi:InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1
定義日:2010-01-27
最終更新日:2011-06-04
識別子（ID）:1-[4-[4-[[(2R,4S)-2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]piperazin-1-yl]ethanone
TXP
TXP
表記:1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE PHOSPHATE
組成式:C21 H32 N7 O17 P3
SMILES:NC(=O)[CH]1CN(CC=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O[P](O)(O)=O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:InChI=1S/C21H32N7O17P3/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(44-46(33,34)35)14(30)11(43-21)6-41-48(38,39)45-47(36,37)40-5-10-13(29)15(31)20(42-10)27-3-1-2-9(4-27)18(23)32/h1-2,7-11,13-16,20-21,29-31H,3-6H2,(H2,23,32)(H,36,37)(H,38,39)(H2,22,24,25)(H2,33,34,35)/t9-,10+,11+,13+,14+,15+,16+,20+,21+/m0/s1
定義日:2007-02-15
最終更新日:2011-06-04
識別子（ID）:[(2R,3S,4R,5R)-5-[(3S)-3-aminocarbonyl-3,6-dihydro-2H-pyridin-1-yl]-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-3-hydroxy-4-phosphonooxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate
UCL
UCL
表記:5-CHLORO-2'-DEOXYURIDINE 5'-(DIHYDROGEN PHOSPHATE)
組成式:C9 H12 Cl N2 O8 P
SMILES:ClC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2)COP(=O)(O)O
InChi:InChI=1S/C9H12ClN2O8P/c10-4-2-12(9(15)11-8(4)14)7-1-5(13)6(20-7)3-19-21(16,17)18/h2,5-7,13H,1,3H2,(H,11,14,15)(H2,16,17,18)/t5-,6+,7+/m0/s1
定義日:2006-09-07
最終更新日:2011-06-04
識別子（ID）:5-chloro-2'-deoxyuridine 5'-(dihydrogen phosphate)
UCN
UCN
表記:7-HYDROXYSTAUROSPORINE
組成式:C28 H26 N4 O4
SMILES:O=C5NC(O)c4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC(NC)C8OC)C
InChi:InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27-,28+/m1/s1
定義日:2003-02-11
最終更新日:2011-06-04
識別子（ID）:(5S,6R,7R,9R,16R)-16-hydroxy-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,15,16-hexahydro-5H,14H-5,9-epoxy-4b,9a,15-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-one
0NC
0NC
表記:N-methyl-L-alaninamide
組成式:C4 H10 N2 O
SMILES:O=C(NC)C(N)C
InChi:InChI=1S/C4H10N2O/c1-3(5)4(7)6-2/h3H,5H2,1-2H3,(H,6,7)/t3-/m0/s1
定義日:2008-03-31
最終更新日:2011-06-04
識別子（ID）:N-methyl-L-alaninamide
UCP
UCP
表記:PHOSPHOMETHYL PHOSPHONIC ACID DEOXYURIDYLATE ESTER
組成式:C10 H17 N2 O13 P3
SMILES:O=P(O)(O)CP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O
InChi:InChI=1S/C10H17N2O13P3/c13-6-3-9(12-2-1-8(14)11-10(12)15)24-7(6)4-23-28(21,22)25-27(19,20)5-26(16,17)18/h1-2,6-7,9,13H,3-5H2,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,9+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:2'-deoxy-5'-O-[(S)-hydroxy{[(R)-hydroxy(phosphonomethyl)phosphoryl]oxy}phosphoryl]uridine
0NF
0NF
表記:(2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
組成式:C29 H29 F3 N4 O3
SMILES:FC(F)(F)c1cc(cc(c1)NC(=O)C5Cc4cc(Oc2ccnc3c2CCC(=O)N3)ccc4CC5)C(N)(C)C
InChi:InChI=1S/C29H29F3N4O3/c1-28(2,33)19-13-20(29(30,31)32)15-21(14-19)35-27(38)17-4-3-16-5-6-22(12-18(16)11-17)39-24-9-10-34-26-23(24)7-8-25(37)36-26/h5-6,9-10,12-15,17H,3-4,7-8,11,33H2,1-2H3,(H,35,38)(H,34,36,37)/t17-/m0/s1
定義日:2011-02-04
最終更新日:2011-06-04
識別子（ID）:(2S)-N-[3-(2-aminopropan-2-yl)-5-(trifluoromethyl)phenyl]-7-[(7-oxo-5,6,7,8-tetrahydro-1,8-naphthyridin-4-yl)oxy]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
YTB
YTB
表記:(1R,2R,3S,4R,5R)-5-aminocyclopentane-1,2,3,4-tetrol
組成式:C5 H11 N O4
SMILES:OC1C(N)C(O)C(O)C1O
InChi:InChI=1S/C5H11NO4/c6-1-2(7)4(9)5(10)3(1)8/h1-5,7-10H,6H2/t1-,2-,3-,4+,5-/m1/s1
定義日:2008-07-25
最終更新日:2011-06-04
識別子（ID）:(1R,2R,3S,4R,5R)-5-aminocyclopentane-1,2,3,4-tetrol
VZZ
VZZ
表記:11-[(MERCAPTOCARBONYL)OXY]UNDECANOIC ACID
組成式:C12 H22 O4 S
SMILES:O=C(OCCCCCCCCCCC(=O)O)S
InChi:InChI=1S/C12H22O4S/c13-11(14)9-7-5-3-1-2-4-6-8-10-16-12(15)17/h1-10H2,(H,13,14)(H,15,17)
定義日:2007-07-26
最終更新日:2011-06-04
識別子（ID）:11-[(sulfanylcarbonyl)oxy]undecanoic acid
UD0
UD0
表記:(2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(S)-{[(S)-{[(2S,3R,4S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(1E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid
組成式:C25 H34 N5 O22 P3
SMILES:O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC4OC(C(=O)O)C(O)C(/N=C/c3c(cnc(c3O)C)COP(=O)(O)O)C4NC(=O)C)O)O
InChi:InChI=1S/C25H34N5O22P3/c1-9-17(33)12(11(5-26-9)7-47-53(40,41)42)6-27-15-16(28-10(2)31)24(50-21(19(15)35)23(37)38)51-55(45,46)52-54(43,44)48-8-13-18(34)20(36)22(49-13)30-4-3-14(32)29-25(30)39/h3-6,13,15-16,18-22,24,33-36H,7-8H2,1-2H3,(H,28,31)(H,37,38)(H,43,44)(H,45,46)(H,29,32,39)(H2,40,41,42)/b27-6+/t13-,15+,16+,18-,19-,20-,21-,22+,24+/m0/s1
定義日:2010-07-13
最終更新日:2011-06-04
識別子（ID）:(2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(S)-{[(S)-{[(2S,3R,4S,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxy-4-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}tetrahydro-2H-pyran-2-carboxylic acid
UD1
UD1
表記:URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
組成式:C17 H27 N3 O17 P2
SMILES:O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:InChI=1S/C17H27N3O17P2/c1-6(22)18-10-13(26)11(24)7(4-21)35-16(10)36-39(31,32)37-38(29,30)33-5-8-12(25)14(27)15(34-8)20-3-2-9(23)19-17(20)28/h2-3,7-8,10-16,21,24-27H,4-5H2,1H3,(H,18,22)(H,29,30)(H,31,32)(H,19,23,28)/t7-,8-,10-,11-,12-,13-,14-,15-,16-/m1/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:(2R,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)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)
ZXB
ZXB
表記:(2S,3R,4S,5R)-2-benzylpiperidine-3,4,5-triol
組成式:C12 H17 N O3
SMILES:OC1C(NCC(O)C1O)Cc2ccccc2
InChi:InChI=1S/C12H17NO3/c14-10-7-13-9(11(15)12(10)16)6-8-4-2-1-3-5-8/h1-5,9-16H,6-7H2/t9-,10+,11+,12-/m0/s1
定義日:2008-12-24
最終更新日:2011-06-04
識別子（ID）:(2S,3R,4S,5R)-2-benzylpiperidine-3,4,5-triol
UD5
UD5
表記:5-FLUOROURIDINE
組成式:C9 H12 F N2 O8 P
SMILES:FC=1C(=O)NC(=O)N(C=1)C2OC(C(O)C2O)COP(O)O
InChi:InChI=1S/C9H12FN2O8P/c10-3-1-12(9(16)11-7(3)15)8-6(14)5(13)4(20-8)2-19-21(17)18/h1,4-6,8,13-14,17-18H,2H2,(H,11,15,16)/t4-,5-,6-,8-/m1/s1
定義日:2005-06-01
最終更新日:2011-06-04
識別子（ID）:5'-O-(dihydroxyphosphanyl)-5-fluorouridine
TYA
TYA
表記:PHOSPHORIC ACID 2-AMINO-3-(4-HYDROXY-PHENYL)-PROPYL ESTER ADENOSIN-5'YL ESTER
組成式:C19 H24 N6 O8 P
SMILES:[O-]P(=O)(OCC(N)Cc1ccc(O)cc1)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O
InChi:InChI=1S/C19H25N6O8P/c20-11(5-10-1-3-12(26)4-2-10)6-31-34(29,30)32-7-13-15(27)16(28)19(33-13)25-9-24-14-17(21)22-8-23-18(14)25/h1-4,8-9,11,13,15-16,19,26-28H,5-7,20H2,(H,29,30)(H2,21,22,23)/p-1/t11-,13+,15+,16+,19+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:5'-O-({[(2S)-2-amino-3-(4-hydroxyphenyl)propyl]oxy}phosphinato)adenosine
XEZ
XEZ
表記:6-(1H-PYRAZOL-3-YL)-3-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE
組成式:C12 H9 N7
SMILES:n2c3n(c(c1nncc1)c2)cc(nc3)c4cnnc4
InChi:InChI=1S/C12H9N7/c1-2-15-18-9(1)11-5-14-12-6-13-10(7-19(11)12)8-3-16-17-4-8/h1-7H,(H,15,18)(H,16,17)
定義日:2010-05-19
最終更新日:2011-06-04
識別子（ID）:3-(1H-pyrazol-3-yl)-6-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazine
TYD
TYD
表記:THYMIDINE-5'-DIPHOSPHATE
組成式:C10 H16 N2 O11 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O
InChi:InChI=1S/C10H16N2O11P2/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(22-8)4-21-25(19,20)23-24(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
定義日:1999-07-08
最終更新日:2011-06-04
識別子（ID）:thymidine 5'-(trihydrogen diphosphate)
JCB
JCB
表記:N-(P-TOLUENESULFONYL)-INDOLE
組成式:C15 H13 N O2 S
SMILES:O=S(=O)(c1ccc(cc1)C)n3c2ccccc2cc3
InChi:InChI=1S/C15H13NO2S/c1-12-6-8-14(9-7-12)19(17,18)16-11-10-13-4-2-3-5-15(13)16/h2-11H,1H3
定義日:2003-07-17
最終更新日:2011-06-04
識別子（ID）:1-[(4-methylphenyl)sulfonyl]-1H-indole
ZGB
ZGB
表記:3-(4-methoxy-3-methylphenyl)propanoic acid
組成式:C11 H14 O3
SMILES:O=C(O)CCc1ccc(OC)c(c1)C
InChi:InChI=1S/C11H14O3/c1-8-7-9(4-6-11(12)13)3-5-10(8)14-2/h3,5,7H,4,6H2,1-2H3,(H,12,13)
定義日:2010-11-15
最終更新日:2011-06-04
識別子（ID）:3-(4-methoxy-3-methylphenyl)propanoic acid
UDA
UDA
表記:3'-1-CARBOXY-1-PHOSPHONOOXY-ETHOXY-URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
組成式:C20 H32 N3 O23 P3
SMILES:O=P(OC1OC(C(O)C(OC(OP(=O)(O)O)(C(=O)O)C)C1NC(=O)C)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:InChI=1S/C20H32N3O23P3/c1-7(25)21-11-15(43-20(2,18(30)31)45-47(33,34)35)13(28)8(5-24)42-17(11)44-49(38,39)46-48(36,37)40-6-9-12(27)14(29)16(41-9)23-4-3-10(26)22-19(23)32/h3-4,8-9,11-17,24,27-29H,5-6H2,1-2H3,(H,21,25)(H,30,31)(H,36,37)(H,38,39)(H,22,26,32)(H2,33,34,35)/t8-,9-,11-,12-,13-,14-,15-,16-,17-,20+/m1/s1
定義日:2003-08-14
最終更新日:2011-06-04
識別子（ID）:(2S)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}-2-(phosphonooxy)propanoic acid (non-preferred name)
ZGC
ZGC
表記:3-(4-methoxyphenyl)propanoic acid
組成式:C10 H12 O3
SMILES:O=C(O)CCc1ccc(OC)cc1
InChi:InChI=1S/C10H12O3/c1-13-9-5-2-8(3-6-9)4-7-10(11)12/h2-3,5-6H,4,7H2,1H3,(H,11,12)
定義日:2010-11-15
最終更新日:2011-06-04
識別子（ID）:3-(4-methoxyphenyl)propanoic acid
XX3
XX3
表記:(1S)-1-HYDROPEROXY-1-HYDROXY-2-KETO-5-NITROCYCLOHEXA-3,5-DIENE
組成式:C6 H5 N O6
SMILES:O=[N+]([O-])C1=CC(OO)(O)C(=O)C=C1
InChi:InChI=1S/C6H5NO6/c8-5-2-1-4(7(10)11)3-6(5,9)13-12/h1-3,9,12H/t6-/m0/s1
定義日:2006-10-05
最終更新日:2011-06-04
識別子（ID）:(6S)-6-hydroperoxy-6-hydroxy-4-nitrocyclohexa-2,4-dien-1-one
XX7
XX7
表記:2-{[(2S)-2-HYDROXY-3-(9-PHENANTHRYLOXY)PROPYL]AMINO}PROPANE-1,3-DIOL
組成式:C20 H23 N O4
SMILES:OCC(NCC(O)COc2cc3c(c1c2cccc1)cccc3)CO
InChi:InChI=1S/C20H23NO4/c22-11-15(12-23)21-10-16(24)13-25-20-9-14-5-1-2-6-17(14)18-7-3-4-8-19(18)20/h1-9,15-16,21-24H,10-13H2/t16-/m0/s1
定義日:2007-06-22
最終更新日:2011-06-04
識別子（ID）:2-{[(2S)-2-hydroxy-3-(phenanthren-9-yloxy)propyl]amino}propane-1,3-diol
TYM
TYM
表記:TRYPTOPHANYL-5'AMP
組成式:C21 H24 N7 O8 P
SMILES:O=C(OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc5c4ccccc4nc5
InChi:InChI=1S/C21H24N7O8P/c22-12(5-10-6-24-13-4-2-1-3-11(10)13)21(31)36-37(32,33)34-7-14-16(29)17(30)20(35-14)28-9-27-15-18(23)25-8-26-19(15)28/h1-4,6,8-9,12,14,16-17,20,24,29-30H,5,7,22H2,(H,32,33)(H2,23,25,26)/t12-,14+,16+,17+,20+/m0/s1
定義日:2001-03-08
最終更新日:2011-06-04
識別子（ID）:5'-O-[(R)-{[(2S)-2-amino-3-(1H-indol-3-yl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine

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件を2024-09-11に公開中

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