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AC7

AC7
Name:	dimethyl 3,3'-(6-methoxy-6-oxohex-1-ene-1,1-diyl)bis(5-cyano-6-methoxybenzoate)
Formula:	C27 H26 N2 O8
SMILES:	COC(=O)CCCC=C(c1cc(C#N)c(OC)c(c1)C(=O)OC)c2cc(C#N)c(OC)c(c2)C(=O)OC
InChi:	InChI=1S/C27H26N2O8/c1-33-23(30)9-7-6-8-20(16-10-18(14-28)24(34-2)21(12-16)26(31)36-4)17-11-19(15-29)25(35-3)22(13-17)27(32)37-5/h8,10-13H,6-7,9H2,1-5H3
Definition date:	2009-08-27
Last modified:	2012-01-05

MS2

MS2
Name:	2,2-DICHLORO-1-METHANESULFINYL-3-METHYL-CYCLOPROPANECARBOXYLIC ACID [1-(4-BROMO-PHENYL)-ETHYL]-AMIDE
Formula:	C14 H16 Br Cl2 N O2 S
SMILES:	O=C(NC(c1ccc(Br)cc1)C)C2(S(=O)C)C(C)C2(Cl)Cl
InChi:	InChI=1S/C14H16BrCl2NO2S/c1-8(10-4-6-11(15)7-5-10)18-12(19)13(21(3)20)9(2)14(13,16)17/h4-9H,1-3H3,(H,18,19)/t8-,9-,13-,21+/m1/s1
Definition date:	1999-07-08
Last modified:	2012-01-05
Identifier:	(1R,3R)-N-[(1R)-1-(4-bromophenyl)ethyl]-2,2-dichloro-3-methyl-1-[(S)-methylsulfinyl]cyclopropanecarboxamide

MTW

MTW
Name:	HYDROXY(OXO)(3-{[(2Z)-4-[3-(1H-1,2,4-TRIAZOL-1-YLMETHYL)PHENYL]PYRIMIDIN-2(5H)-YLIDENE]AMINO}PHENYL)AMMONIUM
Formula:	C19 H15 N7 O2
SMILES:	[O-][N+](=O)c4cccc(N=C1N=CCC(=N1)c2cc(ccc2)Cn3ncnc3)c4
InChi:	InChI=1S/C19H15N7O2/c27-26(28)17-6-2-5-16(10-17)23-19-21-8-7-18(24-19)15-4-1-3-14(9-15)11-25-13-20-12-22-25/h1-6,8-10,12-13H,7,11H2/b23-19-
Definition date:	2005-11-03
Last modified:	2012-01-05
Identifier:	3-nitro-N-[(2Z)-4-[3-(1H-1,2,4-triazol-1-ylmethyl)phenyl]pyrimidin-2(5H)-ylidene]aniline

CND

CND
Name:	5-BETA-D-RIBOFURANOSYLNICOTINAMIDE ADENINE DINUCLEOTIDE
Formula:	C21 H27 N7 O14 P2
SMILES:	NC(=O)c1c[nH+]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/C21H27N7O14P2/c22-18-12-20(26-6-25-18)28(7-27-12)21-16(32)14(30)11(41-21)5-39-44(36,37)42-43(34,35)38-4-10-13(29)15(31)17(40-10)8-1-9(19(23)33)3-24-2-8/h1-3,6-7,10-11,13-17,21,29-32H,4-5H2,(H2,23,33)(H,34,35)(H,36,37)(H2,22,25,26)/t10-,11-,13-,14-,15-,16-,17+,21-/m1/s1
Definition date:	1999-07-08
Last modified:	2012-01-05
Identifier:	[(2R,3S,4R,5S)-5-(5-aminocarbonylpyridin-1-ium-3-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] phosphate

CP5

CP5
Name:	(2Z)-3-{[OXIDO(OXO)PHOSPHINO]OXY}-2-PHENYLACRYLATE
Formula:	C9 H6 O5 P
SMILES:	O=C([O-])C(=C/OP(=O)=O)c1ccccc1
InChi:	InChI=1S/C9H7O5P/c10-9(11)8(6-14-15(12)13)7-4-2-1-3-5-7/h1-6H,(H,10,11)/p-1/b8-6-
Definition date:	2004-03-03
Last modified:	2012-01-05
Identifier:	(2Z)-3-{[oxido(oxo)phosphanyl]oxy}-2-phenylprop-2-enoate

CA3

CA3
Name:	COA-S-TRIMETHYLENE-ACETYL-TRYPTAMINE
Formula:	C36 H54 N9 O17 P3 S
SMILES:	O=C(NCCc2c1ccccc1nc2)CCCCSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC5OC(n4cnc3c(ncnc34)N)C(O)C5OP(=O)(O)O
InChi:	InChI=1S/C36H54N9O17P3S/c1-36(2,31(49)34(50)40-13-11-27(47)39-14-16-66-15-6-5-9-26(46)38-12-10-22-17-41-24-8-4-3-7-23(22)24)19-59-65(56,57)62-64(54,55)58-18-25-30(61-63(51,52)53)29(48)35(60-25)45-21-44-28-32(37)42-20-43-33(28)45/h3-4,7-8,17,20-21,25,29-31,35,41,48-49H,5-6,9-16,18-19H2,1-2H3,(H,38,46)(H,39,47)(H,40,50)(H,54,55)(H,56,57)(H2,37,42,43)(H2,51,52,53)/t25-,29-,30-,31+,35-/m1/s1
Definition date:	2002-01-29
Last modified:	2012-01-05
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-3-hydroxy-20-(1H-indol-3-yl)-2,2-dimethyl-4,8,17-trioxo-12-thia-5,9,18-triazaicos-1-yl dihydrogen diphosphate (non-preferred name)

CA5

CA5
Name:	COA-S-ACETYL 5-BROMOTRYPTAMINE
Formula:	C33 H47 Br N9 O17 P3 S
SMILES:	Brc1ccc2c(c1)c(cn2)CCNC(=O)CSCCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC5OC(n4cnc3c(ncnc34)N)C(O)C5OP(=O)(O)O
InChi:	InChI=1S/C33H47BrN9O17P3S/c1-33(2,28(47)31(48)38-8-6-23(44)37-9-10-64-14-24(45)36-7-5-18-12-39-21-4-3-19(34)11-20(18)21)15-57-63(54,55)60-62(52,53)56-13-22-27(59-61(49,50)51)26(46)32(58-22)43-17-42-25-29(35)40-16-41-30(25)43/h3-4,11-12,16-17,22,26-28,32,39,46-47H,5-10,13-15H2,1-2H3,(H,36,45)(H,37,44)(H,38,48)(H,52,53)(H,54,55)(H2,35,40,41)(H2,49,50,51)/t22-,26-,27-,28+,32-/m1/s1
Definition date:	2002-01-28
Last modified:	2012-01-05
Identifier:	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R)-17-(5-bromo-1H-indol-3-yl)-3-hydroxy-2,2-dimethyl-4,8,14-trioxo-12-thia-5,9,15-triazaheptadec-1-yl dihydrogen diphosphate (non-preferred name)

45U

45U
Name:	(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclopentyloxy)ethanoyl)pyrrolidine-2-carboxamide
Formula:	C20 H28 N4 O3
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)COC2CCCC2)CCC3
InChi:	InChI=1S/C20H28N4O3/c21-19(22)15-9-7-14(8-10-15)12-23-20(26)17-6-3-11-24(17)18(25)13-27-16-4-1-2-5-16/h7-10,16-17H,1-6,11-13H2,(H3,21,22)(H,23,26)/t17-/m0/s1
Definition date:	2007-11-29
Last modified:	2012-01-05
Identifier:	N-(4-carbamimidoylbenzyl)-1-[(cyclopentyloxy)acetyl]-L-prolinamide

46U

46U
Name:	(S)-N-(4-carbamimidoylbenzyl)-1-(2-(cyclohexyloxy)ethanoyl)pyrrolidine-2-carboxamide
Formula:	C21 H30 N4 O3
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)COC2CCCCC2)CCC3
InChi:	InChI=1S/C21H30N4O3/c22-20(23)16-10-8-15(9-11-16)13-24-21(27)18-7-4-12-25(18)19(26)14-28-17-5-2-1-3-6-17/h8-11,17-18H,1-7,12-14H2,(H3,22,23)(H,24,27)/t18-/m0/s1
Definition date:	2007-11-29
Last modified:	2012-01-05
Identifier:	N-(4-carbamimidoylbenzyl)-1-[(cyclohexyloxy)acetyl]-L-prolinamide

49U

49U
Name:	(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)pyrrolidine-2-carboxamide
Formula:	C21 H30 N4 O2
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CCC2CCCC2)CCC3
InChi:	InChI=1S/C21H30N4O2/c22-20(23)17-10-7-16(8-11-17)14-24-21(27)18-6-3-13-25(18)19(26)12-9-15-4-1-2-5-15/h7-8,10-11,15,18H,1-6,9,12-14H2,(H3,22,23)(H,24,27)/t18-/m0/s1
Definition date:	2007-11-29
Last modified:	2012-01-05
Identifier:	N-(4-carbamimidoylbenzyl)-1-(3-cyclopentylpropanoyl)-L-prolinamide

ENA

ENA
Name:	ETHENO-NAD
Formula:	C23 H27 N7 O14 P2
SMILES:	NC(=O)c1ccc[n+](c1)[CH]2O[CH](CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c6[nH]cc[n+]6cnc45)[CH](O)[CH]2O
InChi:	InChI=1S/C23H27N7O14P2/c24-19(35)11-2-1-4-28(6-11)22-17(33)15(31)12(42-22)7-40-45(36,37)44-46(38,39)41-8-13-16(32)18(34)23(43-13)30-10-26-14-20-25-3-5-29(20)9-27-21(14)30/h1-6,9-10,12-13,15-18,22-23,31-34H,7-8H2,(H3-,24,35,36,37,38,39)/t12-,13-,15-,16-,17-,18-,22-,23-/m1/s1
Definition date:	2001-12-06
Last modified:	2012-01-05
Identifier:	[[(2R,3S,4R,5R)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methyl phosphate

ENQ

ENQ
Name:	[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-3,4-dihydroxy-5-oxidanidyl-oxolan-2-yl]methyl phosphate
Formula:	C17 H22 N5 O14 P2
SMILES:	O[CH]1O[CH](CO[P]([O-])(=O)O[P]([O-])(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c5[nH]cc[n+]5cnc34)[CH](O)[CH]1O
InChi:	InChI=1S/C17H23N5O14P2/c23-10-7(3-32-37(28,29)36-38(30,31)33-4-8-11(24)13(26)17(27)35-8)34-16(12(10)25)22-6-19-9-14-18-1-2-21(14)5-20-15(9)22/h1-2,5-8,10-13,16-17,23-27H,3-4H2,(H2,28,29,30,31)/p-1/t7-,8-,10-,11-,12-,13-,16-,17-/m1/s1
Definition date:	2009-12-17
Last modified:	2012-01-05
Identifier:	[[(2R,3S,4R,5R)-3,4-dihydroxy-5-(9H-imidazo[2,1-f]purin-6-ium-3-yl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [(2R,3S,4R,5R)-3,4,5-trihydroxyoxolan-2-yl]methyl phosphate

EPD

EPD
Name:	EPOTHILONE D
Formula:	C27 H41 N O5 S
SMILES:	O=C1C(C)C(O)C(C)CCCC(=CCC(OC(=O)CC(O)C1(C)C)/C(=C/c2nc(sc2)C)C)C
InChi:	InChI=1S/C27H41NO5S/c1-16-9-8-10-17(2)25(31)19(4)26(32)27(6,7)23(29)14-24(30)33-22(12-11-16)18(3)13-21-15-34-20(5)28-21/h11,13,15,17,19,22-23,25,29,31H,8-10,12,14H2,1-7H3/b16-11-,18-13+/t17-,19+,22-,23-,25-/m0/s1
Definition date:	2003-07-03
Last modified:	2012-01-05
Identifier:	(4S,7R,8S,9S,13Z,16S)-4,8-dihydroxy-5,5,7,9,13-pentamethyl-16-[(E)-1-methyl-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]oxacyclohexadec-13-ene-2,6-dione

4TA

4TA
Name:	P1-(5'-ADENOSYL)P4-(5'-(2'-DEOXY-THYMIDYL))TETRAPHOSPHATE
Formula:	C20 H25 N7 O20 P4
SMILES:	CC1=CN([CH]2C[CH](O)[CH](CO[P]([O-])(=O)O[P]([O-])(=O)O[P]([O-])(=O)O[P]([O-])(=O)OC[CH]3O[CH]([CH](O)[CH]3O)n4cnc5c(N)ncnc45)O2)C(=O)NC1=O
InChi:	InChI=1S/C20H29N7O20P4/c1-8-3-26(20(32)25-18(8)31)12-2-9(28)10(43-12)4-41-48(33,34)45-50(37,38)47-51(39,40)46-49(35,36)42-5-11-14(29)15(30)19(44-11)27-7-24-13-16(21)22-6-23-17(13)27/h3,6-7,9-12,14-15,19,28-30H,2,4-5H2,1H3,(H,33,34)(H,35,36)(H,37,38)(H,39,40)(H2,21,22,23)(H,25,31,32)/p-4/t9-,10+,11+,12+,14+,15+,19+/m0/s1
Definition date:	2003-05-20
Last modified:	2012-01-05
Identifier:	[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanidyl-phosphoryl] [[[(2R,3S,5R)-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanidyl-phosphoryl]oxy-oxidanidyl-phosphoryl] phosphate

50U

50U
Name:	(S)-N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)pyrrolidine-2-carboxamide
Formula:	C22 H32 N4 O2
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C3N(C(=O)CCC2CCCCC2)CCC3
InChi:	InChI=1S/C22H32N4O2/c23-21(24)18-11-8-17(9-12-18)15-25-22(28)19-7-4-14-26(19)20(27)13-10-16-5-2-1-3-6-16/h8-9,11-12,16,19H,1-7,10,13-15H2,(H3,23,24)(H,25,28)/t19-/m0/s1
Definition date:	2007-11-28
Last modified:	2012-01-05
Identifier:	N-(4-carbamimidoylbenzyl)-1-(3-cyclohexylpropanoyl)-L-prolinamide

24U

24U
Name:	1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide
Formula:	C17 H24 N4 O2
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C2N(C(=O)CCC)CCC2
InChi:	InChI=1S/C17H24N4O2/c1-2-4-15(22)21-10-3-5-14(21)17(23)20-11-12-6-8-13(9-7-12)16(18)19/h6-9,14H,2-5,10-11H2,1H3,(H3,18,19)(H,20,23)/t14-/m0/s1
Definition date:	2008-02-13
Last modified:	2012-01-05
Identifier:	1-butanoyl-N-(4-carbamimidoylbenzyl)-L-prolinamide

26U

26U
Name:	N-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-L-prolinamide
Formula:	C19 H28 N4 O2
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C2N(C(=O)CCC(C)C)CCC2
InChi:	InChI=1S/C19H28N4O2/c1-13(2)5-10-17(24)23-11-3-4-16(23)19(25)22-12-14-6-8-15(9-7-14)18(20)21/h6-9,13,16H,3-5,10-12H2,1-2H3,(H3,20,21)(H,22,25)/t16-/m0/s1
Definition date:	2008-02-20
Last modified:	2012-01-05
Identifier:	N-(4-carbamimidoylbenzyl)-1-(4-methylpentanoyl)-L-prolinamide

29U

29U
Name:	1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide
Formula:	C17 H25 N5 O2
SMILES:	O=C(NCc1ccc(C(=[N@H])N)cc1)C2N(C(=O)C(N)CC)CCC2
InChi:	InChI=1S/C17H25N5O2/c1-2-13(18)17(24)22-9-3-4-14(22)16(23)21-10-11-5-7-12(8-6-11)15(19)20/h5-8,13-14H,2-4,9-10,18H2,1H3,(H3,19,20)(H,21,23)/t13-,14+/m1/s1
Definition date:	2008-01-29
Last modified:	2012-01-05
Identifier:	1-[(2R)-2-aminobutanoyl]-N-(4-carbamimidoylbenzyl)-L-prolinamide

BT5

BT5
Name:	BIOTINYL-5-AMP
Formula:	C20 H28 N7 O9 P S
SMILES:	O=C1NC2C(SCC2N1)CCCCC(=O)OP(=O)(O)OCC5OC(n3c4ncnc(N)c4nc3)C(O)C5O
InChi:	InChI=1S/C20H28N7O9PS/c21-17-14-18(23-7-22-17)27(8-24-14)19-16(30)15(29)10(35-19)5-34-37(32,33)36-12(28)4-2-1-3-11-13-9(6-38-11)25-20(31)26-13/h7-11,13,15-16,19,29-30H,1-6H2,(H,32,33)(H2,21,22,23)(H2,25,26,31)/t9-,10+,11-,13-,15+,16+,19+/m0/s1
Definition date:	2004-10-06
Last modified:	2012-01-05
Identifier:	5'-O-[(R)-hydroxy({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}oxy)phosphoryl]adenosine

G13

G13
Name:	N-[(3aR,6S,6aS)-1-(N-methyl-L-alanyl-3-methyl-L-valyl)octahydrocyclopenta[b]pyrrol-6-yl]naphthalene-1-carboxamide
Formula:	C28 H38 N4 O3
SMILES:	CN[CH](C)C(=O)N[CH](C(=O)N1CC[CH]2CC[CH](NC(=O)c3cccc4ccccc34)[CH]12)C(C)(C)C
InChi:	InChI=1S/C28H38N4O3/c1-17(29-5)25(33)31-24(28(2,3)4)27(35)32-16-15-19-13-14-22(23(19)32)30-26(34)21-12-8-10-18-9-6-7-11-20(18)21/h6-12,17,19,22-24,29H,13-16H2,1-5H3,(H,30,34)(H,31,33)/t17-,19+,22-,23-,24+/m0/s1
Definition date:	2008-11-12
Last modified:	2012-01-05

DOT

DOT
Name:	3'ANTHRANILOYL-2'-DEOXY-ADENOSINE-5'-TRIPHOSPHATE
Formula:	C17 H21 N6 O13 P3
SMILES:	O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC4OC(n2cnc1c(ncnc12)N)CC4OC(=O)c3ccccc3N
InChi:	InChI=1S/C17H21N6O13P3/c18-10-4-2-1-3-9(10)17(24)34-11-5-13(23-8-22-14-15(19)20-7-21-16(14)23)33-12(11)6-32-38(28,29)36-39(30,31)35-37(25,26)27/h1-4,7-8,11-13H,5-6,18H2,(H,28,29)(H,30,31)(H2,19,20,21)(H2,25,26,27)/t11-,12+,13+/m0/s1
Definition date:	2002-06-07
Last modified:	2012-01-05
Identifier:	3'-O-[(2-aminophenyl)carbonyl]-2'-deoxyadenosine 5'-(tetrahydrogen triphosphate)

GMP

GMP
Name:	GUANOSINE
Formula:	C10 H13 N5 O5
SMILES:	O=C1c2ncn(c2N=C(N)N1)C3OC(C(O)C3O)CO
InChi:	InChI=1S/C10H13N5O5/c11-10-13-7-4(8(19)14-10)12-2-15(7)9-6(18)5(17)3(1-16)20-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,19)/t3-,5-,6-,9-/m1/s1
Definition date:	1999-07-08
Last modified:	2012-01-05
Identifier:	guanosine

GMS

GMS
Name:	2'-DEOXYGUANOSINE-5'-MONOSELENOPHOSPHATE
Formula:	C10 H14 N5 O6 P Se
SMILES:	O=P(O)([SeH])OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
InChi:	InChI=1S/C10H14N5O6PSe/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(21-6)2-20-22(18,19)23/h3-6,16H,1-2H2,(H2,18,19,23)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
Definition date:	2002-11-18
Last modified:	2012-01-05
Identifier:	2'-deoxy-5'-O-selenophosphonoguanosine

AFG

AFG
Name:	N-(5'-PHOSPHO-2'-DEOXYGUANOSIN-8-YL)-2-AMINOFLUORENE
Formula:	C23 H23 N6 O7 P
SMILES:	NC1=Nc2n(C3CC(O)C(CO[P](O)(O)=O)O3)c(Nc4ccc5c(Cc6ccccc56)c4)nc2C(=O)N1
InChi:	InChI=1S/C23H23N6O7P/c24-22-27-20-19(21(31)28-22)26-23(29(20)18-9-16(30)17(36-18)10-35-37(32,33)34)25-13-5-6-15-12(8-13)7-11-3-1-2-4-14(11)15/h1-6,8,16-18,30H,7,9-10H2,(H,25,26)(H2,32,33,34)(H3,24,27,28,31)
Definition date:	2004-09-16
Last modified:	2012-01-05
Identifier:	[(2S,3R,5S)-5-[2-amino-8-(9H-fluoren-2-ylamino)-6-oxo-1H-purin-9-yl]-3-hydroxy-oxolan-2-yl]methyl dihydrogen phosphate

AHZ

AHZ
Name:	ADENOSINE DIPHOSPHATE 5-(BETA-ETHYL)-4-METHYL-THIAZOLE-2-CARBOXYLIC ACID
Formula:	C17 H19 N6 O12 P2 S
SMILES:	O=C([O-])c1nc(c(s1)CCOP([O-])(=O)OP([O-])(=O)OCC4OC(n2c3ncnc(N)c3nc2)C(O)C4O)C
InChi:	InChI=1S/C17H22N6O12P2S/c1-7-9(38-15(22-7)17(26)27)2-3-32-36(28,29)35-37(30,31)33-4-8-11(24)12(25)16(34-8)23-6-21-10-13(18)19-5-20-14(10)23/h5-6,8,11-12,16,24-25H,2-4H2,1H3,(H,26,27)(H,28,29)(H,30,31)(H2,18,19,20)/p-3/t8-,11-,12-,16-/m1/s1
Definition date:	2003-12-09
Last modified:	2012-01-05
Identifier:	5'-O-[({[2-(2-carboxylato-4-methyl-1,3-thiazol-5-yl)ethoxy]phosphinato}oxy)phosphinato]adenosine

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