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HM4
HM4
Name:TERT-BUTYL {2-[(1,3-THIAZOL-2-YLAMINO)CARBONYL]PYRIDIN-3-YL}CARBAMATE
Formula:C14 H16 N4 O3 S
SMILES:O=C(c1ncccc1NC(=O)OC(C)(C)C)Nc2nccs2
InChi:InChI=1S/C14H16N4O3S/c1-14(2,3)21-13(20)17-9-5-4-6-15-10(9)11(19)18-12-16-7-8-22-12/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
Definition date:2006-11-09
Last modified:2011-06-04
Identifier:tert-butyl [2-(1,3-thiazol-2-ylcarbamoyl)pyridin-3-yl]carbamate
HM5
HM5
Name:3-[(2,2-DIMETHYLPROPANOYL)AMINO]-N-1,3-THIAZOL-2-YLPYRIDINE-2-CARBOXAMIDE
Formula:C14 H16 N4 O2 S
SMILES:O=C(c1ncccc1NC(=O)C(C)(C)C)Nc2nccs2
InChi:InChI=1S/C14H16N4O2S/c1-14(2,3)12(20)17-9-5-4-6-15-10(9)11(19)18-13-16-7-8-21-13/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
Definition date:2006-11-09
Last modified:2011-06-04
Identifier:3-[(2,2-dimethylpropanoyl)amino]-N-1,3-thiazol-2-ylpyridine-2-carboxamide
2OM
2OM
Name:5,6-dihydroorotidine 5'-monophosphate
Formula:C10 H15 N2 O11 P
SMILES:O=C(O)C1N(C(=O)NC(=O)C1)C2OC(C(O)C2O)COP(=O)(O)O
InChi:InChI=1S/C10H15N2O11P/c13-5-1-3(9(16)17)12(10(18)11-5)8-7(15)6(14)4(23-8)2-22-24(19,20)21/h3-4,6-8,14-15H,1-2H2,(H,16,17)(H,11,13,18)(H2,19,20,21)/t3-,4-,6-,7-,8-/m1/s1
Definition date:2009-02-06
Last modified:2011-06-04
Identifier:6-carboxyuridine 5'-(dihydrogen phosphate)
HMC
HMC
Name:5-HYDROXYMETHYL-CHONDURITOL
Formula:C7 H12 O5
SMILES:OC1C(=CC(O)C(O)C1O)CO
InChi:InChI=1S/C7H12O5/c8-2-3-1-4(9)6(11)7(12)5(3)10/h1,4-12H,2H2/t4-,5+,6-,7-/m0/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(1S,2S,3S,4R)-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol
2OT
2OT
Name:2'-O-[2-(N,N-DIMETHYLAMINOOXY)ETHYL] THYMIDINE-5'-MONOPHOSPHATE
Formula:C14 H24 N3 O10 P
SMILES:O=C1NC(=O)N(C=C1C)C2OC(C(O)C2OCCON(C)C)COP(=O)(O)O
InChi:InChI=1S/C14H24N3O10P/c1-8-6-17(14(20)15-12(8)19)13-11(24-4-5-25-16(2)3)10(18)9(27-13)7-26-28(21,22)23/h6,9-11,13,18H,4-5,7H2,1-3H3,(H,15,19,20)(H2,21,22,23)/t9-,10-,11-,13-/m1/s1
Definition date:2004-12-21
Last modified:2011-06-04
Identifier:2'-O-{2-[(dimethylamino)oxy]ethyl}-5-methyluridine 5'-(dihydrogen phosphate)
HMK
HMK
Name:(6AR,12AR)-6H-[1,3]DIOXOLO[5,6][1]BENZOFURO[3,2-C]CHROMENE-3,6A(12AH)-DIOL
Formula:C16 H12 O6
SMILES:O3c2cc1OCOc1cc2C4(O)C3c5ccc(O)cc5OC4
InChi:InChI=1S/C16H12O6/c17-8-1-2-9-11(3-8)19-6-16(18)10-4-13-14(21-7-20-13)5-12(10)22-15(9)16/h1-5,15,17-18H,6-7H2/t15-,16+/m1/s1
Definition date:2005-04-27
Last modified:2011-06-04
Identifier:(6aR,12aR)-6H-[1,3]dioxolo[5,6][1]benzofuro[3,2-c]chromene-3,6a(12aH)-diol
HMS
HMS
Name:5-O-phosphono-L-ribulose
Formula:C5 H11 O8 P
SMILES:O=P(O)(O)OCC(O)C(O)C(=O)CO
InChi:InChI=1S/C5H11O8P/c6-1-3(7)5(9)4(8)2-13-14(10,11)12/h4-6,8-9H,1-2H2,(H2,10,11,12)/t4-,5+/m0/s1
Definition date:2009-01-14
Last modified:2011-06-04
Identifier:5-O-phosphono-L-ribulose
2PC
2PC
Name:3,4-DIHYDRO-2H-PYRROLIUM-5-CARBOXYLATE
Formula:C5 H7 N O2
SMILES:[O-]C(=O)C1=[NH+]CCC1
InChi:InChI=1S/C5H7NO2/c7-5(8)4-2-1-3-6-4/h1-3H2,(H,7,8)
Definition date:2000-05-15
Last modified:2011-06-04
Identifier:3,4-dihydro-2H-pyrrolium-5-carboxylate
2PH
2PH
Name:[7,8-DIHYDRO-PTERIN-6-YL METHANYL]-PHOSPHONOPHOSPHATE
Formula:C7 H11 N5 O8 P2
SMILES:O=P(O)(O)OP(=O)(O)OCC1=NC=2C(=O)NC(=NC=2NC1)N
InChi:InChI=1S/C7H11N5O8P2/c8-7-11-5-4(6(13)12-7)10-3(1-9-5)2-19-22(17,18)20-21(14,15)16/h1-2H2,(H,17,18)(H2,14,15,16)(H4,8,9,11,12,13)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:(2-amino-4-oxo-3,4,7,8-tetrahydropteridin-6-yl)methyl trihydrogen diphosphate
HNA
HNA
Name:1,8-DI-HYDROXY-4-NITRO-ANTHRAQUINONE
Formula:C14 H7 N O6
SMILES:[O-][N+](=O)c3ccc(O)c2C(=O)c1c(cccc1O)C(=O)c23
InChi:InChI=1S/C14H7NO6/c16-8-3-1-2-6-10(8)14(19)12-9(17)5-4-7(15(20)21)11(12)13(6)18/h1-5,16-17H
Definition date:2002-07-12
Last modified:2011-06-04
Identifier:4,5-dihydroxy-1-nitroanthracene-9,10-dione
HNB
HNB
Name:(2S,5R)-5-pentyltetrahydrofuran-2-ol
Formula:C9 H18 O2
SMILES:OC1OC(CCCCC)CC1
InChi:InChI=1S/C9H18O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8-10H,2-7H2,1H3/t8-,9+/m1/s1
Definition date:2008-10-07
Last modified:2011-06-04
Identifier:(2S,5R)-5-pentyltetrahydrofuran-2-ol
HND
HND
Name:(4S)-nonane-1,4-diol
Formula:C9 H20 O2
SMILES:OCCCC(O)CCCCC
InChi:InChI=1S/C9H20O2/c1-2-3-4-6-9(11)7-5-8-10/h9-11H,2-8H2,1H3/t9-/m0/s1
Definition date:2009-04-30
Last modified:2011-06-04
Identifier:(4S)-nonane-1,4-diol
2PY
2PY
Name:(2S)-1-{[5-(1H-INDAZOL-5-YL)PYRIDIN-3-YL]OXY}-3-[(7AS)-7AH-INDOL-3-YL]PROPAN-2-AMINE
Formula:C23 H21 N5 O
SMILES:N1=CC(=C2C=CC=CC12)CC(N)COc5cc(c3cc4c(cc3)nnc4)cnc5
InChi:InChI=1S/C23H21N5O/c24-19(8-17-11-26-23-4-2-1-3-21(17)23)14-29-20-9-16(10-25-13-20)15-5-6-22-18(7-15)12-27-28-22/h1-7,9-13,19,23H,8,14,24H2,(H,27,28)/t19-,23?/m0/s1
Definition date:2007-01-17
Last modified:2011-06-04
Identifier:(2S)-1-{[5-(1H-indazol-5-yl)pyridin-3-yl]oxy}-3-[(7aS)-7aH-indol-3-yl]propan-2-amine
HOL
HOL
Name:ALPHA-CHOLEST-5-EN-3-YL 3-[(2-DEOXY-5-O-PHOSPHONO-ALPHA-D-GLYCERO-PENTOFURANOSYL)OXY]PROPYLCARBAMATE
Formula:C36 H62 N O9 P
SMILES:O=P(O)(O)OCC5OC(OCCCNC(=O)OC3CC2=CCC1C4CCC(C(C)CCCC(C)C)C4(C)CCC1C2(C)CC3)CC5O
InChi:InChI=1S/C36H62NO9P/c1-23(2)8-6-9-24(3)28-12-13-29-27-11-10-25-20-26(14-16-35(25,4)30(27)15-17-36(28,29)5)45-34(39)37-18-7-19-43-33-21-31(38)32(46-33)22-44-47(40,41)42/h10,23-24,26-33,38H,6-9,11-22H2,1-5H3,(H,37,39)(H2,40,41,42)/t24-,26+,27+,28-,29+,30+,31+,32-,33+,35+,36-/m1/s1
Definition date:2004-03-18
Last modified:2011-06-04
Identifier:(3alpha,8alpha)-cholest-5-en-3-yl {3-[(2-deoxy-5-O-phosphono-alpha-D-erythro-pentofuranosyl)oxy]propyl}carbamate
HP0
HP0
Name:(3S,4aS,8aS)-2-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboxylic acid
Formula:C20 H30 N2 O3
SMILES:O=C(O)C1N(CC2CCCCC2C1)CC(O)C(N)Cc3ccccc3
InChi:InChI=1S/C20H30N2O3/c21-17(10-14-6-2-1-3-7-14)19(23)13-22-12-16-9-5-4-8-15(16)11-18(22)20(24)25/h1-3,6-7,15-19,23H,4-5,8-13,21H2,(H,24,25)/t15-,16+,17-,18-,19+/m0/s1
Definition date:2010-10-09
Last modified:2011-06-04
Identifier:(3S,4aS,8aS)-2-[(2R,3S)-3-amino-2-hydroxy-4-phenylbutyl]decahydroisoquinoline-3-carboxylic acid
HP7
HP7
Name:(2S,3S,4R,5R,6R)-5-acetamido-6-[[[(2R,3S,4R,5R)-5-(2,4-dioxopyrimidin-1-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-hydroxy-phosphoryl]oxy-3,4-dihydroxy-oxane-2-carboxylic acid
Formula:C17 H25 N3 O18 P2
SMILES:O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(OP(=O)(OC3OC(C(=O)O)C(O)C(O)C3NC(=O)C)O)O
InChi:InChI=1S/C17H25N3O18P2/c1-5(21)18-8-10(24)11(25)13(15(27)28)36-16(8)37-40(32,33)38-39(30,31)34-4-6-9(23)12(26)14(35-6)20-3-2-7(22)19-17(20)29/h2-3,6,8-14,16,23-26H,4H2,1H3,(H,18,21)(H,27,28)(H,30,31)(H,32,33)(H,19,22,29)/t6-,8-,9-,10-,11+,12-,13+,14-,16-/m1/s1
Definition date:2010-08-05
Last modified:2011-06-04
Identifier:(2S,3S,4R,5R,6R)-5-(acetylamino)-6-{[(R)-{[(S)-{[(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}-3,4-dihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
HPA
HPA
Name:HYPOXANTHINE
Formula:C5 H4 N4 O
SMILES:O=C1c2c(N=CN1)ncn2
InChi:InChI=1S/C5H4N4O/c10-5-3-4(7-1-6-3)8-2-9-5/h1-2H,(H2,6,7,8,9,10)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:1,7-dihydro-6H-purin-6-one
HPF
HPF
Name:1-[(2-HYDROXYLPHENYL)AMINO]3-GLYCEROLPHOSPHATE
Formula:C9 H14 N O7 P
SMILES:O=P(O)(O)OCC(O)C(O)Nc1ccccc1O
InChi:InChI=1S/C9H14NO7P/c11-7-4-2-1-3-6(7)10-9(13)8(12)5-17-18(14,15)16/h1-4,8-13H,5H2,(H2,14,15,16)/t8-,9-/m1/s1
Definition date:2004-06-09
Last modified:2011-06-04
Identifier:(2R,3R)-2,3-dihydroxy-3-[(2-hydroxyphenyl)amino]propyl dihydrogen phosphate
HPI
HPI
Name:N-(1-CARBOXY-3-PHENYLPROPYL)PHENYLALANYL-ALPHA-ASPARAGINE
Formula:C23 H27 N3 O6
SMILES:O=C(O)CC(C(=O)N)NC(=O)C(NC(C(=O)O)CCc1ccccc1)Cc2ccccc2
InChi:InChI=1S/C23H27N3O6/c24-21(29)18(14-20(27)28)26-22(30)19(13-16-9-5-2-6-10-16)25-17(23(31)32)12-11-15-7-3-1-4-8-15/h1-10,17-19,25H,11-14H2,(H2,24,29)(H,26,30)(H,27,28)(H,31,32)/t17-,18-,19-/m0/s1
Definition date:2004-08-17
Last modified:2011-06-04
Identifier:N-[(1S)-1-carboxy-3-phenylpropyl]-L-phenylalanyl-L-alpha-asparagine
HPK
HPK
Name:(3E)-2,6-DIOXO-6-PHENYLHEX-3-ENOATE
Formula:C12 H9 O4
SMILES:O=C(c1ccccc1)CC=CC(=O)C([O-])=O
InChi:InChI=1S/C12H10O4/c13-10(9-5-2-1-3-6-9)7-4-8-11(14)12(15)16/h1-6,8H,7H2,(H,15,16)/p-1/b8-4+
Definition date:2007-05-14
Last modified:2011-06-04
Identifier:(3E)-2,6-dioxo-6-phenylhex-3-enoate
HPP
HPP
Name:HYDROXYPHENYL PROPIONIC ACID
Formula:C9 H10 O3
SMILES:O=C(O)CCc1ccc(O)cc1
InChi:InChI=1S/C9H10O3/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-2,4-5,10H,3,6H2,(H,11,12)
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:3-(4-hydroxyphenyl)propanoic acid
HPR
HPR
Name:6-HYDROXY-7,8-DIHYDRO PURINE NUCLEOSIDE
Formula:C10 H14 N4 O5
SMILES:Oc3ncnc1c3NCN1C2OC(C(O)C2O)CO
InChi:InChI=1S/C10H14N4O5/c15-1-4-6(16)7(17)10(19-4)14-3-13-5-8(14)11-2-12-9(5)18/h2,4,6-7,10,13,15-17H,1,3H2,(H,11,12,18)/t4-,6-,7-,10-/m1/s1
Definition date:1999-07-08
Last modified:2011-06-04
Identifier:9-beta-D-ribofuranosyl-8,9-dihydro-7H-purin-6-ol
HPT
HPT
Name:6-HYDROXYPROPYLTHYMINE
Formula:C8 H12 N2 O3
SMILES:O=C1NC(=C(C(=O)N1)C)CCCO
InChi:InChI=1S/C8H12N2O3/c1-5-6(3-2-4-11)9-8(13)10-7(5)12/h11H,2-4H2,1H3,(H2,9,10,12,13)
Definition date:2000-05-24
Last modified:2011-06-04
Identifier:6-(3-hydroxypropyl)-5-methylpyrimidine-2,4(1H,3H)-dione
2SC
2SC
Name:(5-phenyl-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl)methanol
Formula:C19 H17 N5 O
SMILES:n1c(cc(n2ncc(c12)CO)NCc3cccnc3)c4ccccc4
InChi:InChI=1S/C19H17N5O/c25-13-16-12-22-24-18(21-11-14-5-4-8-20-10-14)9-17(23-19(16)24)15-6-2-1-3-7-15/h1-10,12,21,25H,11,13H2
Definition date:2007-09-20
Last modified:2011-06-04
Identifier:{5-phenyl-7-[(pyridin-3-ylmethyl)amino]pyrazolo[1,5-a]pyrimidin-3-yl}methanol
HPY
HPY
Name:4-HYDROXY-3,4-DIHYDRO-1H-PYRIMIDIN-2-ONE
Formula:C4 H6 N2 O2
SMILES:O=C1NC(O)C=CN1
InChi:InChI=1S/C4H6N2O2/c7-3-1-2-5-4(8)6-3/h1-3,7H,(H2,5,6,8)/t3-/m0/s1
Definition date:2001-10-23
Last modified:2011-06-04
Identifier:(4S)-4-hydroxy-3,4-dihydropyrimidin-2(1H)-one

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