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U
U
Name:URIDINE-5'-MONOPHOSPHATE
Formula:C9 H13 N2 O9 P
SMILES:O=C1NC(=O)N(C=C1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C9H13N2O9P/c12-5-1-2-11(9(15)10-5)8-7(14)6(13)4(20-8)3-19-21(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,10,12,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:5'-uridylic acid
NI9
NI9
Name:3-FLUORO-1-(2-HYDROXY-2,2-DIPHOSPHONOETHYL)PYRIDINIUM
Formula:C7 H11 F N O7 P2
SMILES:Fc1ccc[n+](c1)CC(O)(P(=O)(O)O)P(=O)(O)O
InChi:InChI=1S/C7H10FNO7P2/c8-6-2-1-3-9(4-6)5-7(10,17(11,12)13)18(14,15)16/h1-4,10H,5H2,(H3-,11,12,13,14,15,16)/p+1
Definition date:2007-01-10
Last modified:2011-06-04
Identifier:3-fluoro-1-(2-hydroxy-2,2-diphosphonoethyl)pyridinium
STS
STS
Name:2-[(1S)-1-BENZYL-2-SULFANYLETHYL]-1H-IMIDAZO[4,5-C]PYRIDIN-5-IUM
Formula:C15 H16 N3 S
SMILES:SCC(c2nc1c[nH+]ccc1n2)Cc3ccccc3
InChi:InChI=1S/C15H15N3S/c19-10-12(8-11-4-2-1-3-5-11)15-17-13-6-7-16-9-14(13)18-15/h1-7,9,12,19H,8,10H2,(H,17,18)/p+1/t12-/m1/s1
Definition date:2005-01-12
Last modified:2011-06-04
Identifier:2-[(1S)-1-benzyl-2-sulfanylethyl]-1H-imidazo[4,5-c]pyridin-5-ium
PZR
PZR
Name:1H-pyrazolo[4,3-c]pyridine
Formula:C6 H5 N3
SMILES:n1ccc2c(c1)cnn2
InChi:InChI=1S/C6H5N3/c1-2-7-3-5-4-8-9-6(1)5/h1-4H,(H,8,9)
Definition date:2011-05-26
Last modified:2011-06-04
Identifier:1H-pyrazolo[4,3-c]pyridine
STU
STU
Name:STAUROSPORINE
Formula:C28 H26 N4 O3
SMILES:O=C5NCc4c2c3n(c1ccccc12)C8(OC(n6c3c(c45)c7ccccc67)CC(NC)C8OC)C
InChi:InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(5S,6R,7R,9R)-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
NID
NID
Name:4-NITRO-INDEN-1-ONE
Formula:C9 H5 N O3
SMILES:[O-][N+](=O)c1cccc2c1C=CC2=O
InChi:InChI=1S/C9H5NO3/c11-9-5-4-6-7(9)2-1-3-8(6)10(12)13/h1-5H
Definition date:1999-12-29
Last modified:2011-06-04
Identifier:4-nitro-1H-inden-1-one
NIE
NIE
Name:nitroethane
Formula:C2 H5 N O2
SMILES:[O-][N+](=O)CC
InChi:InChI=1S/C2H5NO2/c1-2-3(4)5/h2H2,1H3
Definition date:2008-01-09
Last modified:2011-06-04
Identifier:nitroethane
P6F
P6F
Name:1,6-di-O-phosphono-D-fructose
Formula:C6 H14 O12 P2
SMILES:O=P(O)(O)OCC(=O)C(O)C(O)C(O)COP(=O)(O)O
InChi:InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5-,6-/m1/s1
Definition date:2009-03-02
Last modified:2011-06-04
Identifier:1,6-di-O-phosphono-D-fructose
VAR
VAR
Name:9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol
Formula:C14 H11 N7 O
SMILES:n1ccc(O)c2c1n4c(c2c3nc(ncc3)N)ccnc4N
InChi:InChI=1S/C14H11N7O/c15-13-18-4-1-7(20-13)10-8-2-5-19-14(16)21(8)12-11(10)9(22)3-6-17-12/h1-6H,(H2,16,19)(H,17,22)(H2,15,18,20)
Definition date:2007-12-04
Last modified:2011-06-04
Identifier:9-amino-5-(2-aminopyrimidin-4-yl)pyrido[3',2':4,5]pyrrolo[1,2-c]pyrimidin-4-ol
WO5
WO5
Name:TUNGSTATE(VI) ION
Formula:H5 O5 W
SMILES:O[W](O)(O)(O)O
InChi:InChI=1S/5H2O.W/h5*1H2
Definition date:2004-04-01
Last modified:2011-06-04
Identifier:tungsten(5+) pentahydroxide
NII
NII
Name:2,7-bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
Formula:C30 H42 N6 O6
SMILES:O=C4c3c2c(c(cc1C(=O)N(C(=O)c(c12)c(NCCCO)c3)CCCN(C)C)NCCCO)C(=O)N4CCCN(C)C
InChi:InChI=1S/C30H42N6O6/c1-33(2)11-7-13-35-27(39)19-17-22(32-10-6-16-38)26-24-20(28(40)36(30(26)42)14-8-12-34(3)4)18-21(31-9-5-15-37)25(23(19)24)29(35)41/h17-18,31-32,37-38H,5-16H2,1-4H3
Definition date:2008-02-28
Last modified:2011-06-04
Identifier:2,7-bis[3-(dimethylamino)propyl]-4,9-bis[(3-hydroxypropyl)amino]benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone
Z12
Z12
Name:2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide
Formula:C21 H12 Cl4 N2 O3 S
SMILES:Clc1ccc(c(Cl)c1)S(=O)(=O)Nc4cc(Cl)c(Oc2cc3ccccc3nc2)c(Cl)c4
InChi:InChI=1S/C21H12Cl4N2O3S/c22-13-5-6-20(16(23)8-13)31(28,29)27-14-9-17(24)21(18(25)10-14)30-15-7-12-3-1-2-4-19(12)26-11-15/h1-11,27H
Definition date:2009-01-20
Last modified:2011-06-04
Identifier:2,4-dichloro-N-[3,5-dichloro-4-(quinolin-3-yloxy)phenyl]benzenesulfonamide
051
051
Name:(1R,3R,4S)-4-[({6-[(4-CYANO-2-FLUOROBENZYL)OXY]NAPHTHALEN-2-YL}SULFONYL)AMINO]CYCLOHEXANE-1,3-DICARBOXYLIC ACID
Formula:C26 H23 F N2 O7 S
SMILES:O=S(=O)(NC1C(C(=O)O)CC(C(=O)O)CC1)c4cc3ccc(OCc2ccc(C#N)cc2F)cc3cc4
InChi:InChI=1S/C26H23FN2O7S/c27-23-9-15(13-28)1-2-19(23)14-36-20-6-3-17-11-21(7-4-16(17)10-20)37(34,35)29-24-8-5-18(25(30)31)12-22(24)26(32)33/h1-4,6-7,9-11,18,22,24,29H,5,8,12,14H2,(H,30,31)(H,32,33)/t18-,22-,24+/m1/s1
Definition date:2010-08-26
Last modified:2011-06-04
Identifier:(1R,3R,4S)-4-[({6-[(4-cyano-2-fluorobenzyl)oxy]naphthalen-2-yl}sulfonyl)amino]cyclohexane-1,3-dicarboxylic acid
U2F
U2F
Name:URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE
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:2003-10-20
Last modified:2011-06-04
Identifier:[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3-fluoro-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
ZNP
ZNP
Name:(2R)-2-benzyl-3-nitropropanamide
Formula:C10 H12 N2 O3
SMILES:[O-][N+](=O)CC(C(=O)N)Cc1ccccc1
InChi:InChI=1S/C10H12N2O3/c11-10(13)9(7-12(14)15)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H2,11,13)/t9-/m1/s1
Definition date:2009-01-06
Last modified:2011-06-04
Identifier:(2R)-2-benzyl-3-nitropropanamide
NIO
NIO
Name:NICOTINIC ACID
Formula:C6 H5 N O2
SMILES:O=C(O)c1cccnc1
InChi:InChI=1S/C6H5NO2/c8-6(9)5-2-1-3-7-4-5/h1-4H,(H,8,9)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:pyridine-3-carboxylic acid
PLI
PLI
Name:(2E)-2-{[(Z)-{3-HYDROXY-2-METHYL-5-[(PHOSPHONOOXY)METHYL]PYRIDIN-4(1H)-YLIDENE}METHYL]IMINO}PROPANOIC ACID
Formula:C11 H15 N2 O7 P
SMILES:O=C(O)/C(=N/C=C1C(O)=C(NC=C1COP(=O)(O)O)C)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/h3-4,12,14H,5H2,1-2H3,(H,15,16)(H2,17,18,19)/b9-4-,13-7+
Definition date:2008-01-14
Last modified:2011-06-04
Identifier:(2E)-2-{[(Z)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4(1H)-ylidene}methyl]imino}propanoic acid
057
057
Name:N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide
Formula:C21 H22 N4 O2
SMILES:O=C(c1cc2c(cc1)n(cc2c4cc3cccnc3n4)C)NC(C)(C)CO
InChi:InChI=1S/C21H22N4O2/c1-21(2,12-26)24-20(27)14-6-7-18-15(9-14)16(11-25(18)3)17-10-13-5-4-8-22-19(13)23-17/h4-11,26H,12H2,1-3H3,(H,22,23)(H,24,27)
Definition date:2009-01-09
Last modified:2011-06-04
Identifier:N-(2-hydroxy-1,1-dimethylethyl)-1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-indole-5-carboxamide
NIR
NIR
Name:3-(AMINOCARBONYL)-1-[(3R,4S,5R)-3,4-DIHYDROXY-5-METHYLTETRAHYDRO-2-FURANYL]PYRIDINIUM
Formula:C11 H18 N2 O4
SMILES:O=C(N)C1C=CCN(C1)C2OC(C(O)C2O)C
InChi:InChI=1S/C11H18N2O4/c1-6-8(14)9(15)11(17-6)13-4-2-3-7(5-13)10(12)16/h2-3,6-9,11,14-15H,4-5H2,1H3,(H2,12,16)/t6-,7+,8-,9-,11+/m1/s1
Definition date:2002-05-21
Last modified:2011-06-04
Identifier:(3S)-1-(5-deoxy-alpha-D-ribofuranosyl)-1,2,3,6-tetrahydropyridine-3-carboxamide
U2L
U2L
Name:5-METHYL-3'-O-METHOXYETHYL URIDINE-5'-MONOPHOSPHATE
Formula:C13 H21 N2 O10 P
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(OCCOC)C2O)COP(=O)(O)O
InChi:InChI=1S/C13H21N2O10P/c1-7-5-15(13(18)14-11(7)17)12-9(16)10(23-4-3-22-2)8(25-12)6-24-26(19,20)21/h5,8-10,12,16H,3-4,6H2,1-2H3,(H,14,17,18)(H2,19,20,21)/t8-,9-,10-,12-/m1/s1
Definition date:2004-10-29
Last modified:2011-06-04
Identifier:3'-O-(2-methoxyethyl)-5-methyluridine 5'-(dihydrogen phosphate)
P6T
P6T
Name:1,6-di-O-phosphono-D-tagatose
Formula:C6 H14 O12 P2
SMILES:O=P(O)(O)OCC(=O)C(O)C(O)C(O)COP(=O)(O)O
InChi:InChI=1S/C6H14O12P2/c7-3(1-17-19(11,12)13)5(9)6(10)4(8)2-18-20(14,15)16/h3,5-7,9-10H,1-2H2,(H2,11,12,13)(H2,14,15,16)/t3-,5+,6-/m1/s1
Definition date:2009-03-02
Last modified:2011-06-04
Identifier:1,6-di-O-phosphono-D-tagatose
059
059
Name:(2S)-2-[3-(AMINOMETHYL)PHENYL]-3-{(S)-HYDROXY[(1R)-2-METHYL-1-{[(2-PHENYLETHYL)SULFONYL]AMINO}PROPYL]PHOSPHORYL}PROPANOIC ACID
Formula:C22 H31 N2 O6 P S
SMILES:O=S(=O)(NC(C(C)C)P(=O)(O)CC(c1cccc(c1)CN)C(=O)O)CCc2ccccc2
InChi:InChI=1S/C22H31N2O6PS/c1-16(2)21(24-32(29,30)12-11-17-7-4-3-5-8-17)31(27,28)15-20(22(25)26)19-10-6-9-18(13-19)14-23/h3-10,13,16,20-21,24H,11-12,14-15,23H2,1-2H3,(H,25,26)(H,27,28)/t20-,21+/m0/s1
Definition date:2007-04-20
Last modified:2011-06-04
Identifier:(2S)-2-[3-(aminomethyl)phenyl]-3-{(S)-hydroxy[(1R)-2-methyl-1-{[(2-phenylethyl)sulfonyl]amino}propyl]phosphoryl}propanoic acid
SUD
SUD
Name:4-DIPHOSPHOCYTIDYL-2-C-METHYL-D-ERYTHRITOL 2-PHOSPHATE
Formula:C14 H26 N3 O17 P3
SMILES:O=P(O)(O)OC(C)(CO)C(O)COP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
InChi:InChI=1S/C14H26N3O17P3/c1-14(6-18,33-35(23,24)25)8(19)5-31-37(28,29)34-36(26,27)30-4-7-10(20)11(21)12(32-7)17-3-2-9(15)16-13(17)22/h2-3,7-8,10-12,18-21H,4-6H2,1H3,(H,26,27)(H,28,29)(H2,15,16,22)(H2,23,24,25)/t7-,8-,10-,11-,12-,14+/m1/s1
Definition date:2004-07-28
Last modified:2011-06-04
Identifier:5'-O-[(R)-{[(S)-{[(2R,3S)-2,4-dihydroxy-3-methyl-3-(phosphonooxy)butyl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine
05B
05B
Name:2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one
Formula:C22 H21 N5 O3
SMILES:O=C3c1cc(nc1C2(CCNCC2)CN3)c4nc(ncc4)c5ccc6OCOc6c5
InChi:InChI=1S/C22H21N5O3/c28-21-14-10-16(26-19(14)22(11-25-21)4-7-23-8-5-22)15-3-6-24-20(27-15)13-1-2-17-18(9-13)30-12-29-17/h1-3,6,9-10,23,26H,4-5,7-8,11-12H2,(H,25,28)
Definition date:2011-03-17
Last modified:2011-06-04
Identifier:2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one
UVC
UVC
Name:URIDINE-2',3'-VANADATE
Formula:C9 H12 N2 O9 V
SMILES:O=[V]1(OC2C(OC(C2O1)CO)N3C=CC(=O)NC3=O)(O)O
InChi:InChI=1S/C9H10N2O6.2H2O.O.V/c12-3-4-6(14)7(15)8(17-4)11-2-1-5(13)10-9(11)16
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:dihydroxy(oxo)[uridinato(2-)-kappa~2~O~2'~,O~3'~]vanadium

223532

數據於2024-08-07公開中

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