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XUA

XUA
Name:	2'-Se-methyl-2'-selenoadenosine 5'-(dihydrogen phosphate)
Formula:	C11 H16 N5 O6 P Se
SMILES:	O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C([Se]C)C3O
InChi:	InChI=1S/C11H16N5O6PSe/c1-24-8-7(17)5(2-21-23(18,19)20)22-11(8)16-4-15-6-9(12)13-3-14-10(6)16/h3-5,7-8,11,17H,2H2,1H3,(H2,12,13,14)(H2,18,19,20)/t5-,7-,8-,11-/m1/s1
Definition date:	2009-07-27
Last modified:	2011-06-04
Identifier:	2'-Se-methyl-2'-selenoadenosine 5'-(dihydrogen phosphate)

XCY

XCY
Name:	{5-[4-{[4-(AMINOMETHYL)BENZYL]AMINO}-2-OXOPYRIMIDIN-1(2H)- YL]-3-HYDROXYTETRAHYDROFURAN-2-YL}METHYL DIHYDROGEN PHOSPHATE
Formula:	C17 H23 N4 O7 P
SMILES:	O=C2N=C(NCc1ccc(cc1)CN)C=CN2C3OC(C(O)C3)COP(=O)(O)O
InChi:	InChI=1S/C17H23N4O7P/c18-8-11-1-3-12(4-2-11)9-19-15-5-6-21(17(23)20-15)16-7-13(22)14(28-16)10-27-29(24,25)26/h1-6,13-14,16,22H,7-10,18H2,(H,19,20,23)(H2,24,25,26)/t13-,14+,16+/m0/s1
Definition date:	2005-01-04
Last modified:	2011-06-04
Identifier:	N-[4-(aminomethyl)benzyl]-2'-deoxycytidine 5'-(dihydrogen phosphate)

WYE

WYE
Name:	(2Z)-4,6-dihydroxy-2-{[1-methyl-4-(4-methylpiperazin-1-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methylidene}-1-benzofuran-3(2H)-one
Formula:	C22 H22 N4 O4
SMILES:	CN1CCN(CC1)c2ccnc3n(C)cc(C=C4Oc5cc(O)cc(O)c5C4=O)c23
InChi:	InChI=1S/C22H22N4O4/c1-24-5-7-26(8-6-24)15-3-4-23-22-19(15)13(12-25(22)2)9-18-21(29)20-16(28)10-14(27)11-17(20)30-18/h3-4,9-12,27-28H,5-8H2,1-2H3/b18-9-
Definition date:	2010-02-10
Last modified:	2011-06-04
Identifier:	(2Z)-4,6-dihydroxy-2-[[1-methyl-4-(4-methylpiperazin-1-yl)pyrrolo[2,3-b]pyridin-3-yl]methylidene]-1-benzofuran-3-one

WYF

WYF
Name:	(2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one
Formula:	C21 H18 N2 O5
SMILES:	O=C1c5c(O)cc(O)cc5O/C1=Cc3c2cc(OC)ccc2n4c3CNCC4
InChi:	InChI=1S/C21H18N2O5/c1-27-12-2-3-15-13(8-12)14(16-10-22-4-5-23(15)16)9-19-21(26)20-17(25)6-11(24)7-18(20)28-19/h2-3,6-9,22,24-25H,4-5,10H2,1H3/b19-9-
Definition date:	2010-04-20
Last modified:	2011-06-04
Identifier:	(2Z)-4,6-dihydroxy-2-[(8-methoxy-1,2,3,4-tetrahydropyrazino[1,2-a]indol-10-yl)methylidene]-1-benzofuran-3(2H)-one

UP1

UP1
Name:	URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUOROGALACTOSE
Formula:	C15 H23 F N2 O16 P2
SMILES:	O=P(OC1OC(C(O)C(O)C1F)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:	InChI=1S/C15H23FN2O16P2/c16-8-11(23)9(21)5(3-19)32-14(8)33-36(28,29)34-35(26,27)30-4-6-10(22)12(24)13(31-6)18-2-1-7(20)17-15(18)25/h1-2,5-6,8-14,19,21-24H,3-4H2,(H,26,27)(H,28,29)(H,17,20,25)/t5-,6-,8+,9+,10+,11+,12-,13-,14-/m1/s1
Definition date:	2006-12-22
Last modified:	2011-06-04
Identifier:	[(2R,3R,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4R,5R,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)

YBH

YBH
Name:	4-OXO-3-{6-[4-(QUINOXALIN-2-YLOXY)-BENZOYLAMINO]-2-THIOPHEN-2-YL-HEXANOYLAMINO}-BUTYRIC ACID
Formula:	C29 H28 N4 O6 S
SMILES:	O=C(O)CC(C=O)NC(=O)C(c1sccc1)CCCCNC(=O)c4ccc(Oc2nc3c(nc2)cccc3)cc4
InChi:	InChI=1S/C29H28N4O6S/c34-18-20(16-27(35)36)32-29(38)22(25-9-5-15-40-25)6-3-4-14-30-28(37)19-10-12-21(13-11-19)39-26-17-31-23-7-1-2-8-24(23)33-26/h1-2,5,7-13,15,17-18,20,22H,3-4,6,14,16H2,(H,30,37)(H,32,38)(H,35,36)/t20-,22-/m0/s1
Definition date:	2004-01-09
Last modified:	2011-06-04
Identifier:	(3S)-4-oxo-3-{[(2R)-6-({[4-(quinoxalin-2-yloxy)phenyl]carbonyl}amino)-2-thiophen-2-ylhexanoyl]amino}butanoic acid

UP5

UP5
Name:	P1-(ADENOSINE-5'-P5-(URIDINE-5')PENTAPHOSPHATE
Formula:	C19 H28 N7 O24 P5
SMILES:	Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)N5C=CC(=O)NC5=O)[CH](O)[CH]3O
InChi:	InChI=1S/C19H28N7O24P5/c20-15-10-16(22-5-21-15)26(6-23-10)18-14(31)12(29)8(46-18)4-44-52(35,36)48-54(39,40)50-55(41,42)49-53(37,38)47-51(33,34)43-3-7-11(28)13(30)17(45-7)25-2-1-9(27)24-19(25)32/h1-2,5-8,11-14,17-18,28-31H,3-4H2,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H,41,42)(H2,20,21,22)(H,24,27,32)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl] hydrogen phosphate

JAR

JAR
Name:	6-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(1-methylethyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
Formula:	C20 H25 N5 O
SMILES:	O=C1NC(=Nc2c1cnn2C(C)C)C4C(C)CN(Cc3ccccc3)C4
InChi:	InChI=1S/C20H25N5O/c1-13(2)25-19-16(9-21-25)20(26)23-18(22-19)17-12-24(10-14(17)3)11-15-7-5-4-6-8-15/h4-9,13-14,17H,10-12H2,1-3H3,(H,22,23,26)/t14-,17-/m1/s1
Definition date:	2009-09-16
Last modified:	2011-06-04
Identifier:	6-[(3S,4S)-1-benzyl-4-methylpyrrolidin-3-yl]-1-(propan-2-yl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one

ZDU

ZDU
Name:	5-(3-AMINOPROPYL)-2'-DEOXYURIDINE-5'-MONOPHOSPHATE
Formula:	C12 H20 N3 O8 P
SMILES:	O=C1NC(=O)N(C=C1CCCN)C2OC(C(O)C2)COP(=O)(O)O
InChi:	InChI=1S/C12H20N3O8P/c13-3-1-2-7-5-15(12(18)14-11(7)17)10-4-8(16)9(23-10)6-22-24(19,20)21/h5,8-10,16H,1-4,6,13H2,(H,14,17,18)(H2,19,20,21)/t8-,9+,10+/m0/s1
Definition date:	2005-04-08
Last modified:	2011-06-04
Identifier:	5-(3-aminopropyl)-2'-deoxyuridine 5'-(dihydrogen phosphate)

UPA

UPA
Name:	URIDYLYL-2'-5'-PHOSPHO-ADENOSINE
Formula:	C19 H24 N7 O12 P
SMILES:	O=C1C=CN(C(=O)N1)C5OC(CO)C(O)C5OP(=O)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O
InChi:	InChI=1S/C19H24N7O12P/c20-15-10-16(22-5-21-15)26(6-23-10)17-13(31)11(29)8(37-17)4-35-39(33,34)38-14-12(30)7(3-27)36-18(14)25-2-1-9(28)24-19(25)32/h1-2,5-8,11-14,17-18,27,29-31H,3-4H2,(H,33,34)(H2,20,21,22)(H,24,28,32)/t7-,8-,11-,12-,13-,14-,17-,18-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R,5R)-2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-3-yl hydrogen (S)-phosphate (non-preferred name)

TX1

TX1
Name:	2,4-dibromo-6-({[(2-nitrophenyl)carbonyl]amino}methyl)phenyl 2-chlorobenzoate
Formula:	C21 H13 Br2 Cl N2 O5
SMILES:	Brc2cc(Br)cc(c2OC(=O)c1ccccc1Cl)CNC(=O)c3ccccc3[N+]([O-])=O
InChi:	InChI=1S/C21H13Br2ClN2O5/c22-13-9-12(11-25-20(27)15-6-2-4-8-18(15)26(29)30)19(16(23)10-13)31-21(28)14-5-1-3-7-17(14)24/h1-10H,11H2,(H,25,27)
Definition date:	2009-09-04
Last modified:	2011-06-04
Identifier:	2,4-dibromo-6-({[(2-nitrophenyl)carbonyl]amino}methyl)phenyl 2-chlorobenzoate

KJZ

KJZ
Name:	[(2E)-1-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}-2-(naphthalen-1-ylmethylidene)hydrazino]acetic acid
Formula:	C23 H20 Cl N3 O4
SMILES:	Clc3ccccc3NC(=O)CCC(=O)N(/N=C/c2c1ccccc1ccc2)CC(=O)O
InChi:	InChI=1S/C23H20ClN3O4/c24-19-10-3-4-11-20(19)26-21(28)12-13-22(29)27(15-23(30)31)25-14-17-8-5-7-16-6-1-2-9-18(16)17/h1-11,14H,12-13,15H2,(H,26,28)(H,30,31)/b25-14+
Definition date:	2010-04-21
Last modified:	2011-06-04
Identifier:	[(2E)-1-{4-[(2-chlorophenyl)amino]-4-oxobutanoyl}-2-(naphthalen-1-ylmethylidene)hydrazinyl]acetic acid

TX4

TX4
Name:	L-THREONOHYDROXAMATE 4-PHOSPHATE
Formula:	C4 H12 N O8 P
SMILES:	O=P(O)(O)OCC(O)C(O)C(O)NO
InChi:	InChI=1S/C4H12NO8P/c6-2(1-13-14(10,11)12)3(7)4(8)5-9/h2-9H,1H2,(H2,10,11,12)/t2-,3+,4-/m0/s1
Definition date:	2003-08-19
Last modified:	2011-06-04
Identifier:	(2S,3R,4S)-2,3,4-trihydroxy-4-(hydroxyamino)butyl dihydrogen phosphate

XDK

XDK
Name:	2-AMINO-4-PYRIDYL-PYRIMIDINE
Formula:	C9 H8 N4
SMILES:	n2c(c1cnccc1)ccnc2N
InChi:	InChI=1S/C9H8N4/c10-9-12-5-3-8(13-9)7-2-1-4-11-6-7/h1-6H,(H2,10,12,13)
Definition date:	2010-05-04
Last modified:	2011-06-04
Identifier:	4-pyridin-3-ylpyrimidin-2-amine

XV1

XV1
Name:	7-(2-fluorobenzyl)quinolin-8-ol
Formula:	C16 H12 F N O
SMILES:	Fc1ccccc1Cc2c(O)c3ncccc3cc2
InChi:	InChI=1S/C16H12FNO/c17-14-6-2-1-4-12(14)10-13-8-7-11-5-3-9-18-15(11)16(13)19/h1-9,19H,10H2
Definition date:	2009-09-11
Last modified:	2011-06-04
Identifier:	7-(2-fluorobenzyl)quinolin-8-ol

ZEB

ZEB
Name:	4-HYDROXY-3,4-DIHYDRO-ZEBULARINE
Formula:	C9 H14 N2 O6
SMILES:	O=C1NC(O)C=CN1C2OC(C(O)C2O)CO
InChi:	InChI=1S/C9H14N2O6/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16/h1-2,4-8,12-15H,3H2,(H,10,16)/t4-,5-,6-,7-,8-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(4R)-4-hydroxy-1-beta-D-ribofuranosyl-3,4-dihydropyrimidin-2(1H)-one

WH6

WH6
Name:	2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid
Formula:	C23 H17 N O6
SMILES:	O=C(O)CC(N2C(=O)c1ccc(cc1C2=O)C(=O)O)Cc4c3ccccc3ccc4
InChi:	InChI=1S/C23H17NO6/c25-20(26)12-16(10-14-6-3-5-13-4-1-2-7-17(13)14)24-21(27)18-9-8-15(23(29)30)11-19(18)22(24)28/h1-9,11,16H,10,12H2,(H,25,26)(H,29,30)/t16-/m1/s1
Definition date:	2007-12-17
Last modified:	2011-06-04
Identifier:	2-[(1R)-2-carboxy-1-(naphthalen-1-ylmethyl)ethyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylic acid

ZEC

ZEC
Name:	6-HYDROXY-1,3-BENZOTHIAZOLE-2-SULFONAMIDE
Formula:	C7 H6 N2 O3 S2
SMILES:	O=S(=O)(c1nc2ccc(O)cc2s1)N
InChi:	InChI=1S/C7H6N2O3S2/c8-14(11,12)7-9-5-2-1-4(10)3-6(5)13-7/h1-3,10H,(H2,8,11,12)
Definition date:	2005-09-13
Last modified:	2011-06-04
Identifier:	6-hydroxy-1,3-benzothiazole-2-sulfonamide

UC5

UC5
Name:	2'-DEOXY-5'-O-[(S)-HYDROXY(PHOSPHONOMETHYL)PHOSPHORYL]URIDINE
Formula:	C10 H16 N2 O10 P2
SMILES:	O=P(O)(O)CP(=O)(O)OCC2OC(N1C(=O)NC(=O)C=C1)CC2O
InChi:	InChI=1S/C10H16N2O10P2/c13-6-3-9(12-2-1-8(14)11-10(12)15)22-7(6)4-21-24(19,20)5-23(16,17)18/h1-2,6-7,9,13H,3-5H2,(H,19,20)(H,11,14,15)(H2,16,17,18)/t6-,7+,9+/m0/s1
Definition date:	2006-07-26
Last modified:	2011-06-04
Identifier:	2'-deoxy-5'-O-[(S)-hydroxy(phosphonomethyl)phosphoryl]uridine

UPM

UPM
Name:	URIDINE-5'-DIPHOSPHATE-N-1-HYDROOXY-ETHANOYL MURAMAIC ACID
Formula:	C20 H31 N3 O20 P2
SMILES:	O=P(OC1OC(C(O)C(OC(C(=O)O)C)C1NC(=O)CO)CO)(O)OP(=O)(O)OCC3OC(N2C=CC(=O)NC2=O)C(O)C3O
InChi:	InChI=1S/C20H31N3O20P2/c1-7(18(31)32)39-16-12(21-11(27)5-25)19(41-8(4-24)14(16)29)42-45(36,37)43-44(34,35)38-6-9-13(28)15(30)17(40-9)23-3-2-10(26)22-20(23)33/h2-3,7-9,12-17,19,24-25,28-30H,4-6H2,1H3,(H,21,27)(H,31,32)(H,34,35)(H,36,37)(H,22,26,33)/t7-,8-,9-,12-,13-,14-,15-,16-,17-,19-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2R)-2-{[(2R,3R,4R,5S,6R)-2-{[(R)-{[(R)-{[(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-3-[(hydroxyacetyl)amino]-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid (non-preferred name)

TXD

TXD
Name:	1,4,5,6-TETRAHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
Formula:	C21 H31 N7 O14 P2
SMILES:	NC(=O)[CH]1CN(CC=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C21H31N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-2,7-11,13-16,20-21,29-32H,3-6H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,24,25)/t9?,10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Definition date:	2007-02-15
Last modified:	2011-06-04
Identifier:	[(2R,3S,4R,5R)-5-(3-aminocarbonyl-3,6-dihydro-2H-pyridin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methyl [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] hydrogen phosphate

UPP

UPP
Name:	PHENYL-URIDINE-5'-DIPHOSPHATE
Formula:	C15 H18 N2 O12 P2
SMILES:	O=P(O)(Oc1ccccc1)OP(=O)(O)OCC3OC(N2C(=O)NC(=O)C=C2)C(O)C3O
InChi:	InChI=1S/C15H18N2O12P2/c18-11-6-7-17(15(21)16-11)14-13(20)12(19)10(27-14)8-26-30(22,23)29-31(24,25)28-9-4-2-1-3-5-9/h1-7,10,12-14,19-20H,8H2,(H,22,23)(H,24,25)(H,16,18,21)/t10-,12-,13-,14-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	5'-O-[(R)-hydroxy{[(S)-hydroxy(phenoxy)phosphoryl]oxy}phosphoryl]uridine

ZEN

ZEN
Name:	[4-(6-CHLORO-NAPHTHALENE-2-SULFONYL)-PIPERAZIN-1-YL]- (3,4,5,6-TETRAHYDRO-2H-[1,4']BIPYRIDINYL-4-YL)- METHANONE
Formula:	C25 H27 Cl N4 O3 S
SMILES:	Clc2ccc1cc(ccc1c2)S(=O)(=O)N5CCN(C(=O)C4CCN(c3ccncc3)CC4)CC5
InChi:	InChI=1S/C25H27ClN4O3S/c26-22-3-1-21-18-24(4-2-20(21)17-22)34(32,33)30-15-13-29(14-16-30)25(31)19-7-11-28(12-8-19)23-5-9-27-10-6-23/h1-6,9-10,17-19H,7-8,11-16H2
Definition date:	1999-08-24
Last modified:	2011-06-04
Identifier:	1-[(6-chloronaphthalen-2-yl)sulfonyl]-4-[(1-pyridin-4-ylpiperidin-4-yl)carbonyl]piperazine

UPS

UPS
Name:	2'-deoxy-5'-O-thiophosphonouridine
Formula:	C9 H13 N2 O7 P S
SMILES:	O=C1NC(=O)N(C=C1)C2OC(C(O)C2)COP(=S)(O)O
InChi:	InChI=1S/C9H13N2O7PS/c12-5-3-8(11-2-1-7(13)10-9(11)14)18-6(5)4-17-19(15,16)20/h1-2,5-6,8,12H,3-4H2,(H,10,13,14)(H2,15,16,20)/t5-,6+,8+/m0/s1
Definition date:	2009-02-10
Last modified:	2011-06-04
Identifier:	2'-deoxy-5'-O-thiophosphonouridine

WHJ

WHJ
Name:	CARMOTEROL
Formula:	C21 H24 N2 O4
SMILES:	COc1ccc(C[CH](C)NC[CH](O)c2ccc(O)c3NC(=O)C=Cc23)cc1
InChi:	InChI=1S/C21H24N2O4/c1-13(11-14-3-5-15(27-2)6-4-14)22-12-19(25)16-7-9-18(24)21-17(16)8-10-20(26)23-21/h3-10,13,19,22,24-25H,11-12H2,1-2H3,(H,23,26)/t13-,19+/m1/s1
Definition date:	2010-11-30
Last modified:	2011-06-04
Identifier:	8-hydroxy-5-[(1R)-1-hydroxy-2-[[(2R)-1-(4-methoxyphenyl)propan-2-yl]amino]ethyl]-1H-quinolin-2-one

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數據於2024-09-11公開中

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