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A96

A96
Name:	6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide
Formula:	C19 H11 Cl F3 N5 O2
SMILES:	FC(F)(F)c1cc(ccc1)Nc3noc2c(c(Cl)ccc23)C(=O)Nc4cncnc4
InChi:	InChI=1S/C19H11ClF3N5O2/c20-14-5-4-13-16(15(14)18(29)27-12-7-24-9-25-8-12)30-28-17(13)26-11-3-1-2-10(6-11)19(21,22)23/h1-9H,(H,26,28)(H,27,29)
Definition date:	2008-07-18
Last modified:	2011-06-04
Identifier:	6-chloro-N-pyrimidin-5-yl-3-{[3-(trifluoromethyl)phenyl]amino}-1,2-benzisoxazole-7-carboxamide

MCJ

MCJ
Name:	N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2S)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-({N-[(2,3-dihydroxyphenyl)carbonyl]-L-seryl}oxy)propanoyl]-D-serine
Formula:	C30 H29 N3 O16
SMILES:	O=C(O)C(NC(=O)c1cccc(O)c1O)COC(=O)C(NC(=O)c2cccc(O)c2O)COC(=O)C(NC(=O)c3cccc(O)c3O)CO
InChi:	InChI=1S/C30H29N3O16/c34-10-16(31-25(41)13-4-1-7-19(35)22(13)38)29(46)49-12-18(33-27(43)15-6-3-9-21(37)24(15)40)30(47)48-11-17(28(44)45)32-26(42)14-5-2-8-20(36)23(14)39/h1-9,16-18,34-40H,10-12H2,(H,31,41)(H,32,42)(H,33,43)(H,44,45)/t16-,17+,18-/m0/s1
Definition date:	2009-07-23
Last modified:	2011-06-04
Identifier:	N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2S)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-({N-[(2,3-dihydroxyphenyl)carbonyl]-L-seryl}oxy)propanoyl]-D-serine

MCK

MCK
Name:	N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2S)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-(L-seryloxy)propanoyl]-L-serine
Formula:	C23 H25 N3 O13
SMILES:	O=C(O)C(NC(=O)c1cccc(O)c1O)COC(=O)C(NC(=O)c2cccc(O)c2O)COC(=O)C(N)CO
InChi:	InChI=1S/C23H25N3O13/c24-12(7-27)22(36)38-9-14(26-20(33)11-4-2-6-16(29)18(11)31)23(37)39-8-13(21(34)35)25-19(32)10-3-1-5-15(28)17(10)30/h1-6,12-14,27-31H,7-9,24H2,(H,25,32)(H,26,33)(H,34,35)/t12-,13-,14-/m0/s1
Definition date:	2009-10-20
Last modified:	2011-06-04
Identifier:	N-[(2,3-dihydroxyphenyl)carbonyl]-O-[(2S)-2-{[(2,3-dihydroxyphenyl)carbonyl]amino}-3-(L-seryloxy)propanoyl]-L-serine

MCN

MCN
Name:	PTERIN CYTOSINE DINUCLEOTIDE
Formula:	C19 H22 N8 O13 P2 S2
SMILES:	O=P(O)(OCC1Oc2nc3nc(nc(O)c3nc2C(S)=C1S)N)OP(=O)(O)OCC5OC(N4C(=O)N=C(N)C=C4)C(O)C5O
InChi:	InChI=1S/C19H22N8O13P2S2/c20-7-1-2-27(19(31)22-7)17-11(29)10(28)5(39-17)3-36-41(32,33)40-42(34,35)37-4-6-12(43)13(44)8-16(38-6)24-14-9(23-8)15(30)26-18(21)25-14/h1-2,5-6,10-11,17,28-29,43-44H,3-4H2,(H,32,33)(H,34,35)(H2,20,22,31)(H3,21,24,25,26,30)/t5-,6-,10-,11-,17-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	5'-O-[(S)-{[(S)-{[(8R)-2-amino-4-hydroxy-6,7-disulfanyl-8H-pyrano[3,2-g]pteridin-8-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]cytidine

MCP

MCP
Name:	2-CARBOXY-4-METHYLPIPERIDINE
Formula:	C7 H13 N O2
SMILES:	O=C(O)C1NCCC(C)C1
InChi:	InChI=1S/C7H13NO2/c1-5-2-3-8-6(4-5)7(9)10/h5-6,8H,2-4H2,1H3,(H,9,10)/t5-,6-/m1/s1
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(2R,4R)-4-methylpiperidine-2-carboxylic acid

MCW

MCW
Name:	2-methoxycyclohexa-2,5-diene-1,4-dione
Formula:	C7 H6 O3
SMILES:	O=C1C=CC(=O)C=C1OC
InChi:	InChI=1S/C7H6O3/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,1H3
Definition date:	2009-06-12
Last modified:	2011-06-04
Identifier:	2-methoxycyclohexa-2,5-diene-1,4-dione

MCY

MCY
Name:	5-METHYL-2'-DEOXYCYTIDINE
Formula:	C10 H15 N3 O4
SMILES:	O=C1N=C(N)C(=CN1C2OC(C(O)C2)CO)C
InChi:	InChI=1S/C10H15N3O4/c1-5-3-13(10(16)12-9(5)11)8-2-6(15)7(4-14)17-8/h3,6-8,14-15H,2,4H2,1H3,(H2,11,12,16)/t6-,7+,8+/m0/s1
Definition date:	2000-06-01
Last modified:	2011-06-04
Identifier:	2'-deoxy-5-methylcytidine

MDE

MDE
Name:	5-MERCAPTOETHANOL-2-DECENOYL-COENZYME A
Formula:	C33 H55 N7 O18 P3 S2
SMILES:	O=CCSC(CCCCC)C/C=C/C(=O)SCCNC(=O)CCNC(O)C(=O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC([n+]2cnc1c2ncnc1N)C(O)C3OP(=O)(O)O
InChi:	InChI=1S/C33H54N7O18P3S2/c1-4-5-6-8-21(62-16-14-41)9-7-10-24(43)63-15-13-35-23(42)11-12-36-31(46)28(45)33(2,3)18-55-61(52,53)58-60(50,51)54-17-22-27(57-59(47,48)49)26(44)32(56-22)40-20-39-25-29(34)37-19-38-30(25)40/h7,10,14,19-22,26-27,31-32,36,44,46H,4-6,8-9,11-13,15-18H2,1-3H3,(H7,34,35,37,38,42,47,48,49,50,51,52,53)/p+1/b10-7+/t21-,22+,26+,27+,31+,32+/m0/s1
Definition date:	2003-07-10
Last modified:	2011-06-04
Identifier:	6-amino-9-{(2R,3R,4S,5R)-3-hydroxy-4-(phosphonooxy)-5-[(3R,5S,10R,20E,23S)-3,5,10-trihydroxy-8,8-dimethyl-3,5-dioxido-9,14,19,26-tetraoxo-23-pentyl-2,4,6-trioxa-18,24-dithia-11,15-diaza-3,5-diphosphahexacos-20-en-1-yl]tetrahydrofuran-2-yl}-7H-purin-9-ium (non-preferred name)

MDJ

MDJ
Name:	4-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3-(hydroxymethyl)pyridin-2(1H)-one
Formula:	C11 H17 N2 O8 P
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)C(=C(N)C=C1)CO)CC2O
InChi:	InChI=1S/C11H17N2O8P/c12-7-1-2-13(11(16)6(7)4-14)10-3-8(15)9(21-10)5-20-22(17,18)19/h1-2,8-10,14-15H,3-5,12H2,(H2,17,18,19)/t8-,9+,10+/m0/s1
Definition date:	2010-07-23
Last modified:	2011-06-04
Identifier:	4-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3-(hydroxymethyl)pyridin-2(1H)-one

MDK

MDK
Name:	4-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3-methylpyridin-2(1H)-one
Formula:	C11 H17 N2 O7 P
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)C(=C(N)C=C1)C)CC2O
InChi:	InChI=1S/C11H17N2O7P/c1-6-7(12)2-3-13(11(6)15)10-4-8(14)9(20-10)5-19-21(16,17)18/h2-3,8-10,14H,4-5,12H2,1H3,(H2,16,17,18)/t8-,9+,10+/m0/s1
Definition date:	2010-07-23
Last modified:	2011-06-04
Identifier:	4-amino-1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-3-methylpyridin-2(1H)-one

MDQ

MDQ
Name:	2'-deoxy-3-(oxidomethyl)cytidine 5'-(dihydrogen phosphate)
Formula:	C10 H16 N3 O8 P
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)[N+](=C(N)C=C1)C[O-])CC2O
InChi:	InChI=1S/C10H15N3O8P/c11-8-1-2-12(10(16)13(8)5-14)9-3-6(15)7(21-9)4-20-22(17,18)19/h1-2,6-7,9,11,15H,3-5H2,(H2,17,18,19)/q-1/p+1/t6-,7+,9+/m0/s1
Definition date:	2010-07-23
Last modified:	2011-06-04
Identifier:	2'-deoxy-3-(oxidomethyl)cytidine 5'-(dihydrogen phosphate)

MDR

MDR
Name:	9-(2-DEOXY-BETA-D-RIBOFURANOSYL)-6-METHYLPURINE
Formula:	C11 H14 N4 O3
SMILES:	n2c1c(ncnc1n(c2)C3OC(C(O)C3)CO)C
InChi:	InChI=1S/C11H14N4O3/c1-6-10-11(13-4-12-6)15(5-14-10)9-2-7(17)8(3-16)18-9/h4-5,7-9,16-17H,2-3H2,1H3/t7-,8+,9+/m0/s1
Definition date:	2003-04-04
Last modified:	2011-06-04
Identifier:	9-(2-deoxy-beta-D-erythro-pentofuranosyl)-6-methyl-9H-purine

AAH

AAH
Name:	1-[N-4'-NITROBENZYL-N-4'-CARBOXYBUTYLAMINO]METHYLPHOSPHONIC ACID
Formula:	C13 H19 N2 O7 P
SMILES:	[O-][N+](=O)c1ccc(cc1)CN(CP(=O)(O)O)CCCCC(=O)O
InChi:	InChI=1S/C13H19N2O7P/c16-13(17)3-1-2-8-14(10-23(20,21)22)9-11-4-6-12(7-5-11)15(18)19/h4-7H,1-3,8-10H2,(H,16,17)(H2,20,21,22)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	5-[(4-nitrobenzyl)(phosphonomethyl)amino]pentanoic acid

MDU

MDU
Name:	3-(hydroxymethyl)thymidine 5'-(dihydrogen phosphate)
Formula:	C11 H17 N2 O9 P
SMILES:	O=P(O)(O)OCC2OC(N1C(=O)N(C(=O)C(=C1)C)CO)CC2O
InChi:	InChI=1S/C11H17N2O9P/c1-6-3-12(11(17)13(5-14)10(6)16)9-2-7(15)8(22-9)4-21-23(18,19)20/h3,7-9,14-15H,2,4-5H2,1H3,(H2,18,19,20)/t7-,8+,9+/m0/s1
Definition date:	2010-07-23
Last modified:	2011-06-04
Identifier:	3-(hydroxymethyl)thymidine 5'-(dihydrogen phosphate)

MDV

MDV
Name:	(7S,8S)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7,8-dihydro-3H-imidazo[2,1-i]purine-7,8-diol
Formula:	C12 H16 N5 O8 P
SMILES:	O=P(O)(O)OCC4OC(n3cnc2c3N=CN1C2=NC(O)C1O)CC4O
InChi:	InChI=1S/C12H16N5O8P/c18-5-1-7(25-6(5)2-24-26(21,22)23)16-3-13-8-9(16)14-4-17-10(8)15-11(19)12(17)20/h3-7,11-12,18-20H,1-2H2,(H2,21,22,23)/t5-,6+,7+,11-,12-/m0/s1
Definition date:	2010-07-23
Last modified:	2011-06-04
Identifier:	(7S,8S)-3-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-7,8-dihydro-3H-imidazo[2,1-i]purine-7,8-diol

AAM

AAM
Name:	ALPHA-ADENOSINE MONOPHOSPHATE
Formula:	C10 H14 N5 O7 P
SMILES:	O=P(O)(O)OCC3OC(n2cnc1ncnc(N)c12)C(O)C3O
InChi:	InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)14-3-15(5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10+/m1/s1
Definition date:	2001-07-03
Last modified:	2011-06-04
Identifier:	7-(5-O-phosphono-alpha-D-ribofuranosyl)-7H-purin-6-amine

AAN

AAN
Name:	2-(4-NITROPHENYL)ACETIC ACID
Formula:	C8 H7 N O4
SMILES:	O=C(O)Cc1ccc(cc1)[N+]([O-])=O
InChi:	InChI=1S/C8H7NO4/c10-8(11)5-6-1-3-7(4-2-6)9(12)13/h1-4H,5H2,(H,10,11)
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(4-nitrophenyl)acetic acid

AAQ

AAQ
Name:	6-amino-4-[2-(benzylamino)ethyl]-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one
Formula:	C19 H21 N7 O
SMILES:	O=C1c3c(N=C(N1)N)c(c2nc(NC)nc2c3)CCNCc4ccccc4
InChi:	InChI=1S/C19H21N7O/c1-21-19-23-14-9-13-15(24-18(20)26-17(13)27)12(16(14)25-19)7-8-22-10-11-5-3-2-4-6-11/h2-6,9,22H,7-8,10H2,1H3,(H2,21,23,25)(H3,20,24,26,27)
Definition date:	2009-02-27
Last modified:	2011-06-04
Identifier:	6-amino-4-[2-(benzylamino)ethyl]-2-(methylamino)-1,7-dihydro-8H-imidazo[4,5-g]quinazolin-8-one

ME1

ME1
Name:	5-CHLORO-N-(2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)ETHYL)THIOPHENE-2-CARBOXAMIDE
Formula:	C19 H16 Cl N3 O3 S
SMILES:	O=C(NCCNC(=O)c2ccc(N1C=CC=CC1=O)cc2)c3sc(Cl)cc3
InChi:	InChI=1S/C19H16ClN3O3S/c20-16-9-8-15(27-16)19(26)22-11-10-21-18(25)13-4-6-14(7-5-13)23-12-2-1-3-17(23)24/h1-9,12H,10-11H2,(H,21,25)(H,22,26)
Definition date:	2007-04-10
Last modified:	2011-06-04
Identifier:	5-chloro-N-[2-({[4-(2-oxopyridin-1(2H)-yl)phenyl]carbonyl}amino)ethyl]thiophene-2-carboxamide

AAS

AAS
Name:	3-ACTOXYMERCURI-4-AMINOBENZENESULFONAMIDE
Formula:	C8 H10 Hg N2 O4 S
SMILES:	O=S(=O)(c1cc([Hg]OC(=O)C)c(N)cc1)N
InChi:	InChI=1S/C6H7N2O2S.C2H4O2.Hg/c7-5-1-3-6(4-2-5)11(8,9)10
Definition date:	1999-07-08
Last modified:	2011-06-04
Identifier:	(acetato-kappaO)(2-amino-5-sulfamoylphenyl)mercury

ME4

ME4
Name:	3-CHLORO-N-((1R,2S) -2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO)CYCLOHEXYL)-1H-INDOLE-6-CARBOXAMIDE
Formula:	C27 H25 Cl N4 O3
SMILES:	O=C1C=CC=CN1c2ccc(cc2)C(=O)NC5CCCCC5NC(=O)c3ccc4c(c3)ncc4Cl
InChi:	InChI=1S/C27H25ClN4O3/c28-21-16-29-24-15-18(10-13-20(21)24)27(35)31-23-6-2-1-5-22(23)30-26(34)17-8-11-19(12-9-17)32-14-4-3-7-25(32)33/h3-4,7-16,22-23,29H,1-2,5-6H2,(H,30,34)(H,31,35)/t22-,23+/m0/s1
Definition date:	2007-04-10
Last modified:	2011-06-04
Identifier:	3-chloro-N-[(1R,2S)-2-({[4-(2-oxopyridin-1(2H)-yl)phenyl]carbonyl}amino)cyclohexyl]-1H-indole-6-carboxamide

ME5

ME5
Name:	5-CHLORO-N-((1R,2S)-2-(4-(2-OXOPYRIDIN-1(2H)-YL)BENZAMIDO) CYCLOPENTYL)THIOPHENE-2-CARBOXAMIDE
Formula:	C22 H20 Cl N3 O3 S
SMILES:	O=C(NC3CCCC3NC(=O)c2ccc(N1C=CC=CC1=O)cc2)c4sc(Cl)cc4
InChi:	InChI=1S/C22H20ClN3O3S/c23-19-12-11-18(30-19)22(29)25-17-5-3-4-16(17)24-21(28)14-7-9-15(10-8-14)26-13-2-1-6-20(26)27/h1-2,6-13,16-17H,3-5H2,(H,24,28)(H,25,29)/t16-,17+/m0/s1
Definition date:	2007-04-10
Last modified:	2011-06-04
Identifier:	5-chloro-N-[(1R,2S)-2-({[4-(2-oxopyridin-1(2H)-yl)phenyl]carbonyl}amino)cyclopentyl]thiophene-2-carboxamide

ME6

ME6
Name:	[(2R,3S,5R)-5-(4-azanyl-3-methyl-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate
Formula:	C10 H17 N3 O7 P
SMILES:	C[N+]1=C(N)C=CN([CH]2C[CH](O)[CH](CO[P](O)(O)=O)O2)C1=O
InChi:	InChI=1S/C10H16N3O7P/c1-12-8(11)2-3-13(10(12)15)9-4-6(14)7(20-9)5-19-21(16,17)18/h2-3,6-7,9,11,14H,4-5H2,1H3,(H2,16,17,18)/p+1/t6-,7+,9+/m0/s1
Definition date:	2009-05-21
Last modified:	2011-06-04
Identifier:	[(2R,3S,5R)-5-(4-azanyl-3-methyl-2-oxo-pyrimidin-3-ium-1-yl)-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate

MEC

MEC
Name:	ETHYL-CARBAMIC ACID METHYL ESTER
Formula:	C4 H9 N O2
SMILES:	O=C(OC)NCC
InChi:	InChI=1S/C4H9NO2/c1-3-5-4(6)7-2/h3H2,1-2H3,(H,5,6)
Definition date:	1999-10-22
Last modified:	2011-06-04
Identifier:	methyl ethylcarbamate

AB4

AB4
Name:	2,5-DICHLORO-N-[4-HYDROXY-3-(2-HYDROXY-1-NAPHTHYL)PHENYL]BENZENESULFONAMIDE
Formula:	C22 H15 Cl2 N O4 S
SMILES:	O=S(=O)(c1cc(Cl)ccc1Cl)Nc4cc(c3c2ccccc2ccc3O)c(O)cc4
InChi:	InChI=1S/C22H15Cl2NO4S/c23-14-6-8-18(24)21(11-14)30(28,29)25-15-7-10-19(26)17(12-15)22-16-4-2-1-3-13(16)5-9-20(22)27/h1-12,25-27H
Definition date:	2005-08-11
Last modified:	2011-06-04
Identifier:	2,5-dichloro-N-[4-hydroxy-3-(2-hydroxynaphthalen-1-yl)phenyl]benzenesulfonamide

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