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ZDA
ZDA
表記:2',5'-dideoxyadenosine 3'-(tetrahydrogen triphosphate)
組成式:C10 H16 N5 O11 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OC3C(OC(n2cnc1c(ncnc12)N)C3)C
InChi:InChI=1S/C10H16N5O11P3/c1-5-6(24-28(19,20)26-29(21,22)25-27(16,17)18)2-7(23-5)15-4-14-8-9(11)12-3-13-10(8)15/h3-7H,2H2,1H3,(H,19,20)(H,21,22)(H2,11,12,13)(H2,16,17,18)/t5-,6+,7-/m1/s1
別名:2',5'-DIDEOXYADENOSINE 3'-TRIPHOSPHATE
定義日:2014-10-29
最終更新日:2020-06-17
公開日:2015-09-02
識別子（ID）:2',5'-dideoxyadenosine 3'-(tetrahydrogen triphosphate)
JLS
JLS
表記:(15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide
組成式:C48 H93 N O9
SMILES:O=C(NC(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)CCCCCCCCCCCCCC)CCCCCCCCCCCCCC=C/CCCCCCCC
InChi:InChI=1S/C48H93NO9/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-23-24-25-27-29-31-33-35-37-43(52)49-40(39-57-48-47(56)46(55)45(54)42(38-50)58-48)44(53)41(51)36-34-32-30-28-26-16-14-12-10-8-6-4-2/h17-18,40-42,44-48,50-51,53-56H,3-16,19-39H2,1-2H3,(H,49,52)/b18-17-/t40-,41+,42+,44-,45-,46-,47+,48-/m0/s1
別名:PBS-44
定義日:2013-08-01
最終更新日:2020-06-17
公開日:2013-10-02
識別子（ID）:(15Z)-N-[(2S,3S,4R)-1-(alpha-D-galactopyranosyloxy)-3,4-dihydroxyoctadecan-2-yl]tetracos-15-enamide
NAP
NAP
表記:NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
組成式:C21 H28 N7 O17 P3
SMILES:NC(=O)c1ccc[n+](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/C21H28N7O17P3/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/h1-4,7-8,10-11,13-16,20-21,29-31H,5-6H2,(H7-,22,23,24,25,32,33,34,35,36,37,38,39)/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
別名:2'-MONOPHOSPHOADENOSINE 5'-DIPHOSPHORIBOSE
定義日:1999-07-08
最終更新日:2020-06-17
識別子（ID）:[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-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] phosphate
ZDM
ZDM
表記:nonyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
組成式:C21 H40 O11
SMILES:O(CCCCCCCCC)C2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO
InChi:InChI=1S/C21H40O11/c1-2-3-4-5-6-7-8-9-29-20-18(28)16(26)19(13(11-23)31-20)32-21-17(27)15(25)14(24)12(10-22)30-21/h12-28H,2-11H2,1H3/t12-,13-,14-,15+,16-,17-,18-,19-,20-,21-/m1/s1
別名:nonyl-beta-D-maltoside
定義日:2011-03-03
最終更新日:2020-06-17
識別子（ID）:nonyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside
XT0
XT0
表記:2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile
組成式:C21 H20 N4 O2
SMILES:Oc1cc(Cn2cc(nn2)C3CCCC3)ccc1Oc4ccccc4C#N
InChi:InChI=1S/C21H20N4O2/c22-12-17-7-3-4-8-20(17)27-21-10-9-15(11-19(21)26)13-25-14-18(23-24-25)16-5-1-2-6-16/h3-4,7-11,14,16,26H,1-2,5-6,13H2
別名:PT512
定義日:2017-01-10
最終更新日:2020-06-17
公開日:2017-02-15
識別子（ID）:2-[4-[(4-cyclopentyl-1,2,3-triazol-1-yl)methyl]-2-oxidanyl-phenoxy]benzenecarbonitrile
LA8
LA8
表記:L-ADENOSINE-5'-DIPHOSPHATE
組成式:C10 H15 N5 O10 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m0/s1
別名:L-ADP
定義日:2011-03-08
最終更新日:2020-06-17
識別子（ID）:9-{5-O-[(S)-hydroxy(phosphonooxy)phosphoryl]-beta-L-ribofuranosyl}-9H-purin-6-amine
YSA
YSA
表記:5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINE
組成式:C19 H23 N7 O8 S
SMILES:O=C(NS(=O)(=O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O)C(N)Cc4ccc(O)cc4
InChi:InChI=1S/C19H23N7O8S/c20-11(5-9-1-3-10(27)4-2-9)18(30)25-35(31,32)33-6-12-14(28)15(29)19(34-12)26-8-24-13-16(21)22-7-23-17(13)26/h1-4,7-8,11-12,14-15,19,27-29H,5-6,20H2,(H,25,30)(H2,21,22,23)/t11-,12+,14+,15+,19+/m0/s1
別名:TYROSYLADENYLATE
定義日:2004-03-02
最終更新日:2020-06-17
識別子（ID）:5'-O-(L-tyrosylsulfamoyl)adenosine
NAT
NAT
表記:ETHYL 4-(3-HYDROXYPHENYL)-6-METHYL-2-THIOXO-1,2,3,4-TETRAHYDROPYRIMIDINE-5-CARBOXYLATE
組成式:C14 H16 N2 O3 S
SMILES:S=C2NC(c1cc(O)ccc1)C(=C(N2)C)C(=O)OCC
InChi:InChI=1S/C14H16N2O3S/c1-3-19-13(18)11-8(2)15-14(20)16-12(11)9-5-4-6-10(17)7-9/h4-7,12,17H,3H2,1-2H3,(H2,15,16,20)/t12-/m0/s1
別名:MONASTROL
定義日:2003-07-21
最終更新日:2020-06-17
識別子（ID）:ethyl (4S)-4-(3-hydroxyphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
NP0
NP0
表記:N-hydroxypropan-1-amine
組成式:C3 H9 N O
SMILES:CCCNO
InChi:InChI=1S/C3H9NO/c1-2-3-4-5/h4-5H,2-3H2,1H3
別名:1-nitrosopropane, bound form
定義日:2017-08-24
最終更新日:2020-06-17
公開日:2019-07-17
識別子（ID）:N-hydroxypropan-1-amine
YSH
YSH
表記:1-[3-CYANO-4-(NEOPENTYLOXY)PHENYL]-1H-PYRAZOLE-4-CARBOXYLIC ACID
組成式:C16 H17 N3 O3
SMILES:N#Cc1c(OCC(C)(C)C)ccc(c1)n2ncc(c2)C(=O)O
InChi:InChI=1S/C16H17N3O3/c1-16(2,3)10-22-14-5-4-13(6-11(14)7-17)19-9-12(8-18-19)15(20)21/h4-6,8-9H,10H2,1-3H3,(H,20,21)
別名:Y-700
定義日:2004-04-05
最終更新日:2020-06-17
識別子（ID）:1-[3-cyano-4-(2,2-dimethylpropoxy)phenyl]-1H-pyrazole-4-carboxylic acid
XCH
XCH
表記:Droxinostat
組成式:C11 H14 Cl N O3
SMILES:Clc1ccc(c(c1)C)OCCCC(NO)=O
InChi:InChI=1S/C11H14ClNO3/c1-8-7-9(12)4-5-10(8)16-6-2-3-11(14)13-15/h4-5,7,15H,2-3,6H2,1H3,(H,13,14)
別名:4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide
定義日:2015-06-09
最終更新日:2020-06-17
公開日:2016-06-08
識別子（ID）:4-(4-chloro-2-methylphenoxy)-N-hydroxybutanamide
XTH
XTH
表記:1-(2,3-DIDEOXY-6-O-PHOSPHONO-BETA-D-ERYTHRO-HEXOPYRANOSYL)-5-METHYLPYRIMIDINE-2,4(1H,3H)-DIONE
組成式:C11 H17 N2 O8 P
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(O)CC2)COP(=O)(O)O
InChi:InChI=1S/C11H17N2O8P/c1-6-4-13(11(16)12-10(6)15)9-3-2-7(14)8(21-9)5-20-22(17,18)19/h4,7-9,14H,2-3,5H2,1H3,(H,12,15,16)(H2,17,18,19)/t7-,8+,9+/m0/s1
別名:2',3'-DI-DEOXY-BETA-D-GLUCOPYRANOSYL THYMINE
定義日:2006-06-20
最終更新日:2020-06-17
識別子（ID）:1-(2,3-dideoxy-6-O-phosphono-beta-D-erythro-hexopyranosyl)-5-methylpyrimidine-2,4(1H,3H)-dione
O48
O48
表記:decyl sulfamate
組成式:C10 H23 N O3 S
SMILES:O=S(=O)(OCCCCCCCCCC)N
InChi:InChI=1S/C10H23NO3S/c1-2-3-4-5-6-7-8-9-10-14-15(11,12)13/h2-10H2,1H3,(H2,11,12,13)
別名:n-decyl sulfamate
定義日:2009-07-20
最終更新日:2020-06-17
識別子（ID）:decyl sulfamate
YSV
YSV
表記:(1R,3R)-5-(2-((1R,3aS,7aR,E)-1-((R)-6-hydroxy-6-methylheptan-2-yl)-7a-methyloctahydro-4H-inden-4-ylidene)ethylidene)-2- methylenecyclohexane-1,3-diol
組成式:C27 H44 O3
SMILES:OC(C)(C)CCCC(C)C1CCC2C1(CCCC2=[C@H][C@H]=C3CC(C(C(C3)O)=C)O)C
InChi:InChI=1S/C27H44O3/c1-18(8-6-14-26(3,4)30)22-12-13-23-21(9-7-15-27(22,23)5)11-10-20-16-24(28)19(2)25(29)17-20/h10-11,18,22-25,28-30H,2,6-9,12-17H2,1,3-5H3/b21-11+/t18-,22-,23+,24-,25-,27-/m1/s1
別名:2-methylidene-19-nor-1alpha,25-dihydroxyvitamin D3
定義日:2016-03-30
最終更新日:2020-06-17
公開日:2016-12-07
識別子（ID）:(1R,3R,7E,17beta)-17-[(2R)-6-hydroxy-6-methylheptan-2-yl]-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
ZER
ZER
表記:(3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
組成式:C18 H22 O5
SMILES:O=C1OC(CCCC(=O)CCCC=Cc2cc(O)cc(O)c12)C
InChi:InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1
別名:Zearalenone
定義日:2014-10-16
最終更新日:2020-06-17
公開日:2014-11-26
識別子（ID）:(3S,11E)-14,16-dihydroxy-3-methyl-3,4,5,6,9,10-hexahydro-1H-2-benzoxacyclotetradecine-1,7(8H)-dione
NPJ
NPJ
表記:4-NITROPHENYL 4-O-ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GALACTOPYRANOSIDE
組成式:C18 H25 N O13
SMILES:[O-][N+](=O)c3ccc(OC2OC(C(OC1OC(CO)C(O)C(O)C1O)C(O)C2O)CO)cc3
InChi:InChI=1S/C18H25NO13/c20-5-9-11(22)12(23)14(25)18(30-9)32-16-10(6-21)31-17(15(26)13(16)24)29-8-3-1-7(2-4-8)19(27)28/h1-4,9-18,20-26H,5-6H2/t9-,10-,11-,12+,13-,14-,15-,16-,17+,18-/m1/s1
別名:P-NITROPHENYL MALTOSIDE
定義日:2006-04-07
最終更新日:2020-06-17
識別子（ID）:4-nitrophenyl 4-O-alpha-D-glucopyranosyl-alpha-D-glucopyranoside
YBY
YBY
表記:N-{[(1S)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}-L-glutamic acid
組成式:C15 H17 I N2 O8
SMILES:Ic1cc(ccc1O)CC(C(=O)O)NC(=O)NC(C(=O)O)CCC(=O)O
InChi:InChI=1S/C15H17IN2O8/c16-8-5-7(1-3-11(8)19)6-10(14(24)25)18-15(26)17-9(13(22)23)2-4-12(20)21/h1,3,5,9-10,19H,2,4,6H2,(H,20,21)(H,22,23)(H,24,25)(H2,17,18,26)/t9-,10-/m0/s1
別名:(S)-2-(3-((S)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl)ureido)pentanedioic acid
定義日:2008-06-05
最終更新日:2020-06-17
識別子（ID）:N-{[(1S)-1-carboxy-2-(4-hydroxy-3-iodophenyl)ethyl]carbamoyl}-L-glutamic acid
T3P
T3P
表記:THYMIDINE-3'-PHOSPHATE
組成式:C10 H15 N2 O8 P
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(OP(=O)(O)O)C2)CO
InChi:InChI=1S/C10H15N2O8P/c1-5-3-12(10(15)11-9(5)14)8-2-6(7(4-13)19-8)20-21(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
別名:ALPHA-ANOMERIC THYMIDINE-3'-PHOSPHATE
定義日:1999-08-26
最終更新日:2020-06-17
識別子（ID）:3'-thymidylic acid
S7M
S7M
表記:[(3S)-3-amino-3-carboxypropyl]{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}ethyls ulfonium
組成式:C16 H25 N6 O5 S
SMILES:O=C(O)C(N)CC[S+](CC)CC3OC(n2cnc1c(ncnc12)N)C(O)C3O
InChi:InChI=1S/C16H24N6O5S/c1-2-28(4-3-8(17)16(25)26)5-9-11(23)12(24)15(27-9)22-7-21-10-13(18)19-6-20-14(10)22/h6-9,11-12,15,23-24H,2-5,17H2,1H3,(H2-,18,19,20,25,26)/p+1/t8-,9+,11+,12+,15+,28-/m0/s1
別名:S-ADENOSYL ETHIONINE
定義日:2013-06-07
最終更新日:2020-06-17
公開日:2013-06-19
識別子（ID）:[(3S)-3-amino-3-carboxypropyl]{[(2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}ethylsulfonium (non-preferred name)
H4C
H4C
表記:4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium
組成式:C17 H16 Cl N4 S
SMILES:Clc4ccccc4C2=NCc1nnc([n+]1c3sc(cc23)CC)C
InChi:InChI=1S/C17H15ClN4S/c1-3-11-8-13-16(12-6-4-5-7-14(12)18)19-9-15-21-20-10(2)22(15)17(13)23-11/h4-8H,3,9H2,1-2H3/p+1
別名:7-(2-chlorophenyl)-4-ethyl-13-methyl-3-thia-1,8,11,12-tetraazatricyclo trideca-2(6),4,7,10,12-pentaene
定義日:2013-09-17
最終更新日:2020-06-17
公開日:2013-10-02
識別子（ID）:4-(2-chlorophenyl)-2-ethyl-9-methyl-6,8-dihydrothieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-10-ium
NBO
NBO
表記:nabumetone
組成式:C15 H16 O2
SMILES:O=C(C)CCc1ccc2c(c1)ccc(OC)c2
InChi:InChI=1S/C15H16O2/c1-11(16)3-4-12-5-6-14-10-15(17-2)8-7-13(14)9-12/h5-10H,3-4H2,1-2H3
別名:4-(6-methoxynaphthalen-2-yl)butan-2-one
定義日:2011-08-11
最終更新日:2020-06-17
識別子（ID）:4-(6-methoxynaphthalen-2-yl)butan-2-one
NQ
NQ
表記:2-HYDROXYNAPHTHOQUINONE
組成式:C10 H6 O3
SMILES:O=C2c1c(cccc1)C(=O)C(O)=C2
InChi:InChI=1S/C10H6O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-5,12H
別名:2-HYDROXY-1,4-NAPHTHOQUINONE
定義日:2005-08-03
最終更新日:2020-06-17
識別子（ID）:2-hydroxynaphthalene-1,4-dione
MIR
MIR
表記:Monoethylphosphorylserine
組成式:C5 H12 N O6 P
SMILES:O=P(OCC)(OCC(N)C(=O)O)O
InChi:InChI=1S/C5H12NO6P/c1-2-11-13(9,10)12-3-4(6)5(7)8/h4H,2-3,6H2,1H3,(H,7,8)(H,9,10)/t4-/m0/s1
別名:O-[(S)-ethoxy(hydroxy)phosphoryl]-L-serine
定義日:2009-06-04
最終更新日:2020-06-17
識別子（ID）:O-[(S)-ethoxy(hydroxy)phosphoryl]-L-serine
ZXI
ZXI
表記:1-(4-iodophenyl)methanamine
組成式:C7 H8 I N
SMILES:C(c1ccc(cc1)I)N
InChi:InChI=1S/C7H8IN/c8-7-3-1-6(5-9)2-4-7/h1-4H,5,9H2
別名:4-Iodobenzylamine
定義日:2017-12-28
最終更新日:2020-06-17
公開日:2018-12-26
識別子（ID）:1-(4-iodophenyl)methanamine
UAA
UAA
表記:URACIL-6-ACETIC ACID
組成式:C6 H6 N2 O4
SMILES:O=C1NC(=CC(=O)N1)CC(=O)O
InChi:InChI=1S/C6H6N2O4/c9-4-1-3(2-5(10)11)7-6(12)8-4/h1H,2H2,(H,10,11)(H2,7,8,9,12)
別名:6-CARBOXYMETHYLURACIL
定義日:2002-01-14
最終更新日:2020-06-17
識別子（ID）:(2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)acetic acid

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