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HPZ
HPZ
Name:(2E,4E)-2-HYDROXY-6-OXO-6-PHENYLHEXA-2,4-DIENOIC ACID
Formula:C12 H10 O4
SMILES:O=C(C=CC=C(O)C(=O)O)c1ccccc1
InChi:InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-8,14H,(H,15,16)/b7-4+,11-8+
Definition date:2007-05-15
Last modified:2011-06-04
Identifier:(2E,4E)-2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoic acid
2SK
2SK
Name:(1R,2R,3R,4S,5R)-4-(BENZYLAMINO)-5-(METHYLTHIO)CYCLOPENTANE-1,2,3-TRIOL
Formula:C13 H19 N O3 S
SMILES:OC2C(O)C(NCc1ccccc1)C(SC)C2O
InChi:InChI=1S/C13H19NO3S/c1-18-13-9(10(15)11(16)12(13)17)14-7-8-5-3-2-4-6-8/h2-6,9-17H,7H2,1H3/t9-,10+,11+,12+,13+/m0/s1
Definition date:2006-01-24
Last modified:2011-06-04
Identifier:(1R,2R,3R,4S,5R)-4-(benzylamino)-5-(methylsulfanyl)cyclopentane-1,2,3-triol
HQ6
HQ6
Name:N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide
Formula:C9 H18 N2 O5
SMILES:O=C(NC1C(O)C(O)C(NCC1O)CO)C
InChi:InChI=1S/C9H18N2O5/c1-4(13)11-7-6(14)2-10-5(3-12)8(15)9(7)16/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)/t5-,6-,7+,8-,9-/m1/s1
Definition date:2008-12-17
Last modified:2011-06-04
Identifier:N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide
2SM
2SM
Name:methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate
Formula:C14 H14 N4 O5 S
SMILES:O=C(Nc1nc(ccn1)C)NS(=O)(=O)c2ccccc2C(=O)OC
InChi:InChI=1S/C14H14N4O5S/c1-9-7-8-15-13(16-9)17-14(20)18-24(21,22)11-6-4-3-5-10(11)12(19)23-2/h3-8H,1-2H3,(H2,15,16,17,18,20)
Definition date:2008-10-06
Last modified:2011-06-04
Identifier:methyl 2-{[(4-methylpyrimidin-2-yl)carbamoyl]sulfamoyl}benzoate
2ST
2ST
Name:5-METHYL-2'-SE-METHYL-2'-SELENOURIDINE 5'-(DIHYDROGEN PHOSPHATE)
Formula:C11 H17 N2 O8 P Se
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(O)C2[Se]C)COP(=O)(O)O
InChi:InChI=1S/C11H17N2O8PSe/c1-5-3-13(11(16)12-9(5)15)10-8(23-2)7(14)6(21-10)4-20-22(17,18)19/h3,6-8,10,14H,4H2,1-2H3,(H,12,15,16)(H2,17,18,19)/t6-,7-,8-,10-/m1/s1
Definition date:2006-06-16
Last modified:2011-06-04
Identifier:5-methyl-2'-Se-methyl-2'-selenouridine 5'-(dihydrogen phosphate)
2T0
2T0
Name:2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate
Formula:C11 H11 N2 O4 P S
SMILES:O=P(O)(O)Oc3ccc2c(c1nc(sc1CC2)N)c3
InChi:InChI=1S/C11H11N2O4PS/c12-11-13-10-8-5-7(17-18(14,15)16)3-1-6(8)2-4-9(10)19-11/h1,3,5H,2,4H2,(H2,12,13)(H2,14,15,16)
Definition date:2009-05-11
Last modified:2011-06-04
Identifier:2-amino-4,5-dihydronaphtho[1,2-d][1,3]thiazol-8-yl dihydrogen phosphate
2T1
2T1
Name:2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid
Formula:C20 H19 F3 N2 O3
SMILES:O=C(Nc1ccccc1C(=O)O)N3CCC(c2ccccc2C(F)(F)F)CC3
InChi:InChI=1S/C20H19F3N2O3/c21-20(22,23)16-7-3-1-5-14(16)13-9-11-25(12-10-13)19(28)24-17-8-4-2-6-15(17)18(26)27/h1-8,13H,9-12H2,(H,24,28)(H,26,27)
Definition date:2009-01-05
Last modified:2011-06-04
Identifier:2-[({4-[2-(trifluoromethyl)phenyl]piperidin-1-yl}carbonyl)amino]benzoic acid
2T3
2T3
Name:(2R,3R)-4-ANILINO-2,3-DIHYDROXY-4-OXOBUTANOIC ACID
Formula:C10 H11 N O5
SMILES:O=C(Nc1ccccc1)C(O)C(O)C(=O)O
InChi:InChI=1S/C10H11NO5/c12-7(8(13)10(15)16)9(14)11-6-4-2-1-3-5-6/h1-5,7-8,12-13H,(H,11,14)(H,15,16)/t7-,8-/m1/s1
Definition date:2007-03-14
Last modified:2011-06-04
Identifier:(2R,3R)-2,3-dihydroxy-4-oxo-4-(phenylamino)butanoic acid
2T4
2T4
Name:{[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
Formula:C11 H11 N2 O4 P S
SMILES:O=P(O)(O)COc1c2c(ccc1)Cc3sc(nc23)N
InChi:InChI=1S/C11H11N2O4PS/c12-11-13-10-8(19-11)4-6-2-1-3-7(9(6)10)17-5-18(14,15)16/h1-3H,4-5H2,(H2,12,13)(H2,14,15,16)
Definition date:2009-10-22
Last modified:2011-06-04
Identifier:{[(2-amino-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
2T5
2T5
Name:[(8H-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid
Formula:C11 H10 N O4 P S
SMILES:O=P(O)(O)COc1c2c(ccc1)Cc3scnc23
InChi:InChI=1S/C11H10NO4PS/c13-17(14,15)6-16-8-3-1-2-7-4-9-11(10(7)8)12-5-18-9/h1-3,5H,4,6H2,(H2,13,14,15)
Definition date:2009-10-22
Last modified:2011-06-04
Identifier:[(8H-indeno[1,2-d][1,3]thiazol-4-yloxy)methyl]phosphonic acid
2T6
2T6
Name:{[(7-carbamoyl-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
Formula:C12 H11 N2 O5 P S
SMILES:O=P(O)(O)COc1c2c(c(C(=O)N)cc1)Cc3scnc23
InChi:InChI=1S/C12H11N2O5PS/c13-12(15)6-1-2-8(19-5-20(16,17)18)10-7(6)3-9-11(10)14-4-21-9/h1-2,4H,3,5H2,(H2,13,15)(H2,16,17,18)
Definition date:2009-10-22
Last modified:2011-06-04
Identifier:{[(7-carbamoyl-8H-indeno[1,2-d][1,3]thiazol-4-yl)oxy]methyl}phosphonic acid
HQP
HQP
Name:4-({4-[(5-CYCLOPROPYL-1H-PYRAZOL-3-YL)AMINO]QUINAZOLIN-2-YL}IMINO)CYCLOHEXA-2,5-DIENE-1-CARBONITRILE
Formula:C21 H17 N7
SMILES:N#CC5C=C/C(=N/c2nc1c(cccc1)c(n2)Nc3nnc(c3)C4CC4)C=C5
InChi:InChI=1S/C21H17N7/c22-12-13-5-9-15(10-6-13)23-21-24-17-4-2-1-3-16(17)20(26-21)25-19-11-18(27-28-19)14-7-8-14/h1-6,9-11,13-14H,7-8H2,(H2,24,25,26,27,28)/b23-15-
Definition date:2006-11-16
Last modified:2011-06-04
Identifier:(1R,4Z)-4-({4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl}imino)cyclohexa-2,5-diene-1-carbonitrile
2TB
2TB
Name:1,3-DIAMINO-4,5,6-TRIHYDROXY-CYCLOHEXANE
Formula:C6 H16 N2 O3
SMILES:OC1C([NH3+])CC(C(O)C1O)[NH3+]
InChi:InChI=1S/C6H14N2O3/c7-2-1-3(8)5(10)6(11)4(2)9/h2-6,9-11H,1,7-8H2/p+2/t2-,3+,4+,5-,6-
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(1R,3S,4R,5r,6S)-4,5,6-trihydroxycyclohexane-1,3-diaminium
2TH
2TH
Name:2-CHLORO-N-[(1R,2R)-1-HYDROXY-2,3-DIHYDRO-1H-INDEN-2-YL]-6H-THIENO[2,3-B]PYRROLE-5-CARBOXAMIDE
Formula:C16 H13 Cl N2 O2 S
SMILES:Clc2sc1nc(cc1c2)C(=O)NC4Cc3ccccc3C4O
InChi:InChI=1S/C16H13ClN2O2S/c17-13-7-9-6-12(19-16(9)22-13)15(21)18-11-5-8-3-1-2-4-10(8)14(11)20/h1-4,6-7,11,14,19-20H,5H2,(H,18,21)/t11-,14-/m1/s1
Definition date:2006-04-07
Last modified:2011-06-04
Identifier:2-chloro-N-[(1R,2R)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-6H-thieno[2,3-b]pyrrole-5-carboxamide
HRP
HRP
Name:5-HYDROXY-L-TRYPTOPHAN
Formula:C11 H12 N2 O3
SMILES:O=C(O)C(N)Cc2c1cc(O)ccc1nc2
InChi:InChI=1S/C11H12N2O3/c12-9(11(15)16)3-6-5-13-10-2-1-7(14)4-8(6)10/h1-2,4-5,9,13-14H,3,12H2,(H,15,16)/t9-/m1/s1
Definition date:2005-01-14
Last modified:2011-06-04
Identifier:5-hydroxy-D-tryptophan
2UN
2UN
Name:{4-[2-BENZYL-3-METHOXY-2-(METHOXYCARBONYL)-3-OXOPROPYL]PHENYL}SULFAMIC ACID
Formula:C19 H21 N O7 S
SMILES:O=S(=O)(O)Nc1ccc(cc1)CC(C(=O)OC)(C(=O)OC)Cc2ccccc2
InChi:InChI=1S/C19H21NO7S/c1-26-17(21)19(18(22)27-2,12-14-6-4-3-5-7-14)13-15-8-10-16(11-9-15)20-28(23,24)25/h3-11,20H,12-13H2,1-2H3,(H,23,24,25)
Definition date:2006-05-16
Last modified:2011-06-04
Identifier:{4-[2-benzyl-3-methoxy-2-(methoxycarbonyl)-3-oxopropyl]phenyl}sulfamic acid
2VA
2VA
Name:2'-(L-VALYL)AMINO-2'-DEOXYADENOSINE
Formula:C15 H23 N7 O4
SMILES:O=C(NC3C(O)C(OC3n2cnc1c(ncnc12)N)CO)C(N)C(C)C
InChi:InChI=1S/C15H23N7O4/c1-6(2)8(16)14(25)21-9-11(24)7(3-23)26-15(9)22-5-20-10-12(17)18-4-19-13(10)22/h4-9,11,15,23-24H,3,16H2,1-2H3,(H,21,25)(H2,17,18,19)/t7-,8+,9-,11-,15-/m1/s1
Definition date:2004-08-12
Last modified:2011-06-04
Identifier:2'-deoxy-2'-(L-valylamino)adenosine
HT3
HT3
Name:(2R,3S)-heptane-1,2,3-triol
Formula:C7 H16 O3
SMILES:OC(CCCC)C(O)CO
InChi:InChI=1S/C7H16O3/c1-2-3-4-6(9)7(10)5-8/h6-10H,2-5H2,1H3/t6-,7+/m0/s1
Definition date:2010-10-20
Last modified:2011-06-04
Identifier:(2R,3S)-heptane-1,2,3-triol
HTC
HTC
Name:3-{[(4-CARBOXY-2-HYDROXYANILINE]SULFONYL}THIOPHENE-2-CARBOXYLIC ACID
Formula:C12 H9 N O7 S2
SMILES:O=C(O)c1sccc1S(=O)(=O)Nc2ccc(C(=O)O)cc2O
InChi:InChI=1S/C12H9NO7S2/c14-8-5-6(11(15)16)1-2-7(8)13-22(19,20)9-3-4-21-10(9)12(17)18/h1-5,13-14H,(H,15,16)(H,17,18)
Definition date:2004-09-27
Last modified:2011-06-04
Identifier:3-[(4-carboxy-2-hydroxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
HTJ
HTJ
Name:6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Formula:C19 H14 N4 O2
SMILES:O=C(O)c1cc(nc2c1cnn2Cc3ccncc3)c4ccccc4
InChi:InChI=1S/C19H14N4O2/c24-19(25)15-10-17(14-4-2-1-3-5-14)22-18-16(15)11-21-23(18)12-13-6-8-20-9-7-13/h1-11H,12H2,(H,24,25)
Definition date:2010-08-03
Last modified:2011-06-04
Identifier:6-phenyl-1-(pyridin-4-ylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
HTP
HTP
Name:4,5,6-TRIHYDROXY-7-HYDROXYMETHYL-4,5,6,7-TETRAHYDRO-1H-[1,2,3]TRIAZOLO[1,5-A]PYRIDIN-8-YLIUM
Formula:C7 H12 N3 O4
SMILES:OC2c1cnn[n+]1C(C(O)C2O)CO
InChi:InChI=1S/C7H11N3O4/c11-2-4-6(13)7(14)5(12)3-1-8-9-10(3)4/h1,4-7,11-14H,2H2/p+1/t4-,5+,6-,7-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(4S,5S,6R,7R)-4,5,6-trihydroxy-7-(hydroxymethyl)-4,5,6,7-tetrahydro-1H-[1,2,3]triazolo[1,5-a]pyridin-8-ium
HUB
HUB
Name:HUPERZINE B
Formula:C16 H20 N2 O
SMILES:O=C1C=CC2=C(N1)CC3C=C(CC24NCCCC34)C
InChi:InChI=1S/C16H20N2O/c1-10-7-11-8-14-13(4-5-15(19)18-14)16(9-10)12(11)3-2-6-17-16/h4-5,7,11-12,17H,2-3,6,8-9H2,1H3,(H,18,19)/t11-,12+,16+/m0/s1
Definition date:2001-11-07
Last modified:2011-06-04
Identifier:(4aR,5R,10bR)-12-methyl-2,3,4,4a,5,6-hexahydro-1H-5,10b-prop[1]eno-1,7-phenanthrolin-8(7H)-one
2XA
2XA
Name:(2R)-2-AMINO-3-[(4-CHLOROPHENYL)-DIPHENYL-METHYL]SULFANYL-PROPANOIC ACID
Formula:C22 H20 Cl N O2 S
SMILES:Clc1ccc(cc1)C(SCC(C(=O)O)N)(c2ccccc2)c3ccccc3
InChi:InChI=1S/C22H20ClNO2S/c23-19-13-11-18(12-14-19)22(16-7-3-1-4-8-16,17-9-5-2-6-10-17)27-15-20(24)21(25)26/h1-14,20H,15,24H2,(H,25,26)/t20-/m0/s1
Definition date:2010-03-31
Last modified:2011-06-04
Identifier:(2R)-2-amino-3-[(4-chlorophenyl)-diphenyl-methyl]sulfanyl-propanoic acid
HXB
HXB
Name:4'-methylthymidine 5'-(tetrahydrogen triphosphate)
Formula:C11 H19 N2 O14 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2(OC(N1C(=O)NC(=O)C(=C1)C)CC2O)C
InChi:InChI=1S/C11H19N2O14P3/c1-6-4-13(10(16)12-9(6)15)8-3-7(14)11(2,25-8)5-24-29(20,21)27-30(22,23)26-28(17,18)19/h4,7-8,14H,3,5H2,1-2H3,(H,20,21)(H,22,23)(H,12,15,16)(H2,17,18,19)/t7-,8+,11+/m0/s1
Definition date:2010-03-31
Last modified:2011-06-04
Identifier:4'-methylthymidine 5'-(tetrahydrogen triphosphate)
HXC
HXC
Name:HEXANOYL-COENZYME A
Formula:C27 H46 N7 O17 P3 S
SMILES:O=C(SCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O)CCCCC
InChi:InChI=1S/C27H46N7O17P3S/c1-4-5-6-7-18(36)55-11-10-29-17(35)8-9-30-25(39)22(38)27(2,3)13-48-54(45,46)51-53(43,44)47-12-16-21(50-52(40,41)42)20(37)26(49-16)34-15-33-19-23(28)31-14-32-24(19)34/h14-16,20-22,26,37-38H,4-13H2,1-3H3,(H,29,35)(H,30,39)(H,43,44)(H,45,46)(H2,28,31,32)(H2,40,41,42)/t16-,20-,21-,22+,26-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:S-{(9R,13R,15S)-17-[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]-9,13,15-trihydroxy-10,10-dimethyl-13,15-dioxido-4,8-dioxo-12,14,16-trioxa-3,7-diaza-13,15-diphosphaheptadec-1-yl} hexanethioate (non-preferred name)

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