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4MY
4MY
表記:Myo inositol 3,4,5,6 tetrakisphosphate
組成式:C6 H16 O18 P4
SMILES:O=P(OC1C(OP(=O)(O)O)C(O)C(O)C(OP(=O)(O)O)C1OP(=O)(O)O)(O)O
InChi:InChI=1S/C6H16O18P4/c7-1-2(8)4(22-26(12,13)14)6(24-28(18,19)20)5(23-27(15,16)17)3(1)21-25(9,10)11/h1-8H,(H2,9,10,11)(H2,12,13,14)(H2,15,16,17)(H2,18,19,20)/t1-,2+,3-,4-,5+,6+/m0/s1
定義日:2012-06-12
最終更新日:2012-06-29
識別子（ID）:(1S,2R,3R,4S,5R,6S)-5,6-dihydroxycyclohexane-1,2,3,4-tetrayl tetrakis[dihydrogen (phosphate)]
FAM
FAM
表記:ALPHA-FLUORO-AMIDOCARBOXYMETHYLDETHIA COENZYME A COMPLEX
組成式:C23 H38 F N8 O17 P3
SMILES:O=C(N)C(F)CCNC(=O)CCNC(=O)C(O)C(C)(C)COP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3OP(=O)(O)O
InChi:InChI=1S/C23H38FN8O17P3/c1-23(2,17(35)21(37)28-6-4-13(33)27-5-3-11(24)19(26)36)8-46-52(43,44)49-51(41,42)45-7-12-16(48-50(38,39)40)15(34)22(47-12)32-10-31-14-18(25)29-9-30-20(14)32/h9-12,15-17,22,34-35H,3-8H2,1-2H3,(H2,26,36)(H,27,33)(H,28,37)(H,41,42)(H,43,44)(H2,25,29,30)(H2,38,39,40)/t11-,12-,15-,16-,17+,22-/m1/s1
定義日:1999-07-08
最終更新日:2012-06-22
識別子（ID）:(3R)-4-[(3-{[(3R)-4-amino-3-fluoro-4-oxobutyl]amino}-3-oxopropyl)amino]-3-hydroxy-2,2-dimethyl-4-oxobutyl [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
02I
02I
表記:(6S,7S,8S,10R)-4-amino-8-hydroxy-7,8,9,10-tetrahydro-6H-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate
組成式:C10 H12 N5 O6 P
SMILES:O=P(O)(O)OC3c2nc1c(ncnc1N)n2C4OC3C(O)C4
InChi:InChI=1S/C10H12N5O6P/c11-8-5-9(13-2-12-8)15-4-1-3(16)6(20-4)7(10(15)14-5)21-22(17,18)19/h2-4,6-7,16H,1H2,(H2,11,12,13)(H2,17,18,19)/t3-,4+,6-,7+/m0/s1
定義日:2011-07-27
最終更新日:2012-06-22
識別子（ID）:(6S,7S,8S,10R)-4-amino-8-hydroxy-7,8,9,10-tetrahydro-6H-7,10-epoxyazepino[1,2-e]purin-6-yl dihydrogen phosphate
GC3
GC3
表記:(3AR,5R,6S,7R,7AR)-2,5-BIS(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL
組成式:C8 H13 N O6
SMILES:N1=C(OC2OC(C(O)C(O)C12)CO)CO
InChi:InChI=1S/C8H13NO6/c10-1-3-6(12)7(13)5-8(14-3)15-4(2-11)9-5/h3,5-8,10-13H,1-2H2/t3-,5-,6-,7-,8-/m1/s1
定義日:2010-11-02
最終更新日:2012-06-15
識別子（ID）:(3aR,5R,6S,7R,7aR)-2,5-bis(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]oxazole-6,7-diol
CGK
CGK
表記:3-[(2R,3aR,5R,6R,6aR)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,6-dihydroxytetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]propanoic acid
組成式:C19 H27 N5 O16 P2 S
SMILES:O=C(O)CCC1(OC2C(O)C(OC2S1)COP(=O)(O)OP(=O)(OCC5OC(n3c4ncnc(N)c4nc3)C(O)C5O)O)O
InChi:InChI=1S/C19H27N5O16P2S/c20-15-10-16(22-5-21-15)24(6-23-10)17-13(29)11(27)7(37-17)3-35-41(31,32)40-42(33,34)36-4-8-12(28)14-18(38-8)43-19(30,39-14)2-1-9(25)26/h5-8,11-14,17-18,27-30H,1-4H2,(H,25,26)(H,31,32)(H,33,34)(H2,20,21,22)/t7-,8-,11-,12-,13-,14-,17-,18-,19-/m1/s1
定義日:2012-06-11
最終更新日:2012-06-15
識別子（ID）:3-[(2R,3aR,5R,6R,6aR)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-2,6-dihydroxytetrahydrofuro[2,3-d][1,3]oxathiol-2-yl]propanoic acid (non-preferred name)
GNL
GNL
表記:(3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
組成式:C8 H13 N O4 S
SMILES:N1=C(SC2OC(C(O)C(O)C12)CO)C
InChi:InChI=1S/C8H13NO4S/c1-3-9-5-7(12)6(11)4(2-10)13-8(5)14-3/h4-8,10-12H,2H2,1H3/t4-,5-,6+,7-,8-/m1/s1
定義日:2011-08-11
最終更新日:2012-06-01
識別子（ID）:(3aR,5R,6R,7R,7aR)-5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol
D8T
D8T
表記:D-arabinonic acid
組成式:C5 H10 O6
SMILES:O=C(O)C(O)C(O)C(O)CO
InChi:InChI=1S/C5H10O6/c6-1-2(7)3(8)4(9)5(10)11/h2-4,6-9H,1H2,(H,10,11)/t2-,3-,4+/m1/s1
定義日:2011-06-07
最終更新日:2012-06-01
識別子（ID）:D-arabinonic acid
0JK
0JK
表記:5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one
組成式:C21 H17 N5 O
SMILES:O=C4c1c(nnn1Cc3cc2cccnc2cc3)CCN4c5ccccc5
InChi:InChI=1S/C21H17N5O/c27-21-20-19(10-12-25(21)17-6-2-1-3-7-17)23-24-26(20)14-15-8-9-18-16(13-15)5-4-11-22-18/h1-9,11,13H,10,12,14H2
定義日:2012-01-23
最終更新日:2012-05-25
識別子（ID）:5-phenyl-3-(quinolin-6-ylmethyl)-3,5,6,7-tetrahydro-4H-[1,2,3]triazolo[4,5-c]pyridin-4-one
CSQ
CSQ
表記:O-[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] O-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} hydrogen (R)-phosphorothioate
組成式:C18 H24 N5 O12 P S
SMILES:O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(S)OC4C(OC(N3C(=O)N=C(N)C=C3)C4O)CO
InChi:InChI=1S/C18H24N5O12PS/c19-9-1-3-22(17(29)20-9)16-13(28)14(7(5-24)33-16)35-36(31,37)32-6-8-11(26)12(27)15(34-8)23-4-2-10(25)21-18(23)30/h1-4,7-8,11-16,24,26-28H,5-6H2,(H,31,37)(H2,19,20,29)(H,21,25,30)/t7-,8-,11-,12-,13-,14-,15-,16-,36-/m1/s1
定義日:2012-02-28
最終更新日:2012-05-18
識別子（ID）:O-[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] O-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} hydrogen (R)-phosphorothioate
CSV
CSV
表記:O-[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] O-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} hydrogen (S)-phosphorothioate
組成式:C18 H24 N5 O12 P S
SMILES:O=C1C=CN(C(=O)N1)C2OC(C(O)C2O)COP(=O)(S)OC4C(OC(N3C(=O)N=C(N)C=C3)C4O)CO
InChi:InChI=1S/C18H24N5O12PS/c19-9-1-3-22(17(29)20-9)16-13(28)14(7(5-24)33-16)35-36(31,37)32-6-8-11(26)12(27)15(34-8)23-4-2-10(25)21-18(23)30/h1-4,7-8,11-16,24,26-28H,5-6H2,(H,31,37)(H2,19,20,29)(H,21,25,30)/t7-,8-,11-,12-,13-,14-,15-,16-,36+/m1/s1
定義日:2012-03-06
最終更新日:2012-05-18
識別子（ID）:O-[(2R,3S,4R,5R)-5-(4-amino-2-oxopyrimidin-1(2H)-yl)-4-hydroxy-2-(hydroxymethyl)tetrahydrofuran-3-yl] O-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl} hydrogen (S)-phosphorothioate
7E9
7E9
表記:1,3-DIHYDROXYPROPAN-2-YL (Z)-TETRADEC-7-ENOATE
組成式:C17 H32 O4
SMILES:O=C(OC(CO)CO)CCCCCC=C/CCCCCC
InChi:InChI=1S/C17H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)21-16(14-18)15-19/h7-8,16,18-19H,2-6,9-15H2,1H3/b8-7-
定義日:2011-03-31
最終更新日:2012-05-18
識別子（ID）:2-hydroxy-1-(hydroxymethyl)ethyl (7Z)-tetradec-7-enoate
0N2
0N2
表記:(2R,4S,5R,6R)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
組成式:C16 H27 N3 O13 P2
SMILES:O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(O)C(N)C3)C)O)O)C
InChi:InChI=1S/C16H27N3O13P2/c1-7-5-19(16(23)18-15(7)22)12-4-10(20)11(30-12)6-28-33(24,25)32-34(26,27)31-13-3-9(17)14(21)8(2)29-13/h5,8-14,20-21H,3-4,6,17H2,1-2H3,(H,24,25)(H,26,27)(H,18,22,23)/t8-,9+,10+,11-,12-,13-,14+/m1/s1
定義日:2012-03-12
最終更新日:2012-05-16
識別子（ID）:(2R,4S,5R,6R)-4-amino-5-hydroxy-6-methyltetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
DWN
DWN
表記:(2R,4S,6R)-4-amino-6-methyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate
組成式:C16 H25 N3 O13 P2
SMILES:O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(=O)C(N)C3)C)O)O)C
InChi:InChI=1S/C16H25N3O13P2/c1-7-5-19(16(23)18-15(7)22)12-4-10(20)11(30-12)6-28-33(24,25)32-34(26,27)31-13-3-9(17)14(21)8(2)29-13/h5,8-13,20H,3-4,6,17H2,1-2H3,(H,24,25)(H,26,27)(H,18,22,23)/t8-,9+,10+,11-,12-,13-/m1/s1
定義日:2012-03-12
最終更新日:2012-05-16
識別子（ID）:(2R,4S,6R)-4-amino-6-methyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
JHZ
JHZ
表記:(2R,4S,6R)-4-amino-4,6-dimethyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
組成式:C17 H27 N3 O13 P2
SMILES:O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(=O)C(N)(C3)C)C)O)O)C
InChi:InChI=1S/C17H27N3O13P2/c1-8-6-20(16(24)19-15(8)23)12-4-10(21)11(31-12)7-29-34(25,26)33-35(27,28)32-13-5-17(3,18)14(22)9(2)30-13/h6,9-13,21H,4-5,7,18H2,1-3H3,(H,25,26)(H,27,28)(H,19,23,24)/t9-,10+,11-,12-,13-,17+/m1/s1
定義日:2010-06-08
最終更新日:2012-05-16
識別子（ID）:(2R,4S,6R)-4-amino-4,6-dimethyl-5-oxotetrahydro-2H-pyran-2-yl [(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl dihydrogen diphosphate (non-preferred name)
DAU
DAU
表記:2'DEOXY-THYMIDINE-5'-DIPHOSPHO-ALPHA-D-GLUCOSE
組成式:C16 H26 N2 O16 P2
SMILES:O=C1C(=CN(C(=O)N1)C2OC(C(O)C2)COP(=O)(OP(=O)(OC3OC(C(O)C(O)C3O)CO)O)O)C
InChi:InChI=1S/C16H26N2O16P2/c1-6-3-18(16(25)17-14(6)24)10-2-7(20)9(31-10)5-30-35(26,27)34-36(28,29)33-15-13(23)12(22)11(21)8(4-19)32-15/h3,7-13,15,19-23H,2,4-5H2,1H3,(H,26,27)(H,28,29)(H,17,24,25)/t7-,8+,9+,10+,11+,12-,13+,15+/m0/s1
定義日:2000-11-16
最終更新日:2012-05-16
識別子（ID）:[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)tetrahydrofuran-2-yl]methyl (2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl dihydrogen diphosphate (non-preferred name)
0KL
0KL
表記:5-(5-aminopent-1-yn-1-yl)-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)
組成式:C14 H22 N3 O14 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(C#CCCCN)=C1)CC2O
InChi:InChI=1S/C14H22N3O14P3/c15-5-3-1-2-4-9-7-17(14(20)16-13(9)19)12-6-10(18)11(29-12)8-28-33(24,25)31-34(26,27)30-32(21,22)23/h7,10-12,18H,1,3,5-6,8,15H2,(H,24,25)(H,26,27)(H,16,19,20)(H2,21,22,23)/t10-,11+,12+/m0/s1
定義日:2012-02-03
最終更新日:2012-05-11
識別子（ID）:5-(5-aminopent-1-yn-1-yl)-2'-deoxyuridine 5'-(tetrahydrogen triphosphate)
0L5
0L5
表記:2'-deoxy-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}uridine 5'-(tetrahydrogen triphosphate)
組成式:C24 H40 N3 O16 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(C#CCCCNC(=O)CCCCCCCCCO)=C1)CC2O
InChi:InChI=1S/C24H40N3O16P3/c28-14-10-5-3-1-2-4-8-12-21(30)25-13-9-6-7-11-18-16-27(24(32)26-23(18)31)22-15-19(29)20(41-22)17-40-45(36,37)43-46(38,39)42-44(33,34)35/h16,19-20,22,28-29H,1-6,8-10,12-15,17H2,(H,25,30)(H,36,37)(H,38,39)(H,26,31,32)(H2,33,34,35)/t19-,20+,22+/m0/s1
定義日:2012-02-08
最終更新日:2012-05-11
識別子（ID）:2'-deoxy-5-{5-[(10-hydroxydecanoyl)amino]pent-1-yn-1-yl}uridine 5'-(tetrahydrogen triphosphate)
0L6
0L6
表記:5-(5-aminopent-1-yn-1-yl)-2'-deoxycytidine 5'-(tetrahydrogen triphosphate)
組成式:C14 H25 N4 O13 P3
SMILES:O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=C(C#CCCCN)C1)N)CC2O
InChi:InChI=1S/C14H25N4O13P3/c15-5-3-1-2-4-9-7-18(14(20)17-13(9)16)12-6-10(19)11(29-12)8-28-33(24,25)31-34(26,27)30-32(21,22)23/h10-12,19H,1,3,5-8,15-16H2,(H,17,20)(H,24,25)(H,26,27)(H2,21,22,23)/t10-,11+,12+/m0/s1
定義日:2012-02-08
最終更新日:2012-05-11
識別子（ID）:5-(5-aminopent-1-yn-1-yl)-2'-deoxycytidine 5'-(tetrahydrogen triphosphate)
THL
THL
表記:N-[4-({[(6S)-2-AMINO-4-OXO-1,4,5,6,7,8-HEXAHYDROPTERIDIN-6-YL]METHYL}AMINO)BENZOYL]-L-GLUTAMIC ACID
組成式:C19 H23 N7 O6
SMILES:O=C(O)C(NC(=O)c1ccc(cc1)NCC3NC2=C(NC(=NC2=O)N)NC3)CCC(=O)O
InChi:InChI=1S/C19H23N7O6/c20-19-25-15-14(17(30)26-19)23-11(8-22-15)7-21-10-3-1-9(2-4-10)16(29)24-12(18(31)32)5-6-13(27)28/h1-4,11-12,21,23H,5-8H2,(H,24,29)(H,27,28)(H,31,32)(H4,20,22,25,26,30)/t11-,12-/m0/s1
別名:TETRAHYDROFOLIC ACID
定義日:2004-08-24
最終更新日:2012-05-10
識別子（ID）:N-{[4-({[(6S)-2-amino-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid
C77
C77
表記:5'-deoxy-2',3'-O-(1-methylethylidene)-5'-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)adenosine
組成式:C25 H34 N10 O4 S
SMILES:O=C1NC2C(SCC2N1)CCCCCc3nnn(c3)CC7OC(n4c5ncnc(N)c5nc4)C6OC(OC67)(C)C
InChi:InChI=1S/C25H34N10O4S/c1-25(2)38-19-15(37-23(20(19)39-25)35-12-29-18-21(26)27-11-28-22(18)35)9-34-8-13(32-33-34)6-4-3-5-7-16-17-14(10-40-16)30-24(36)31-17/h8,11-12,14-17,19-20,23H,3-7,9-10H2,1-2H3,(H2,26,27,28)(H2,30,31,36)/t14-,15+,16-,17-,19+,20+,23+/m0/s1
定義日:2012-01-19
最終更新日:2012-04-13
識別子（ID）:5'-deoxy-2',3'-O-(1-methylethylidene)-5'-(4-{5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentyl}-1H-1,2,3-triazol-1-yl)adenosine
0NS
0NS
表記:2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide
組成式:C16 H17 N3 O4 S
SMILES:O=S(=O)(c1ccccc1OC)Nc2ccc3NC(=O)N(Cc3c2)C
InChi:InChI=1S/C16H17N3O4S/c1-19-10-11-9-12(7-8-13(11)17-16(19)20)18-24(21,22)15-6-4-3-5-14(15)23-2/h3-9,18H,10H2,1-2H3,(H,17,20)
定義日:2012-03-26
最終更新日:2012-04-13
識別子（ID）:2-methoxy-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzenesulfonamide
LHI
LHI
表記:[(2R,3R,4R,5S,6R)-4-[(2R)-1-[[(2S)-1-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethylamino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl] [oxidanyl(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl] hydrogen phosphate
組成式:C93 H155 N7 O23 P2 S
SMILES:C[CH](NC(=O)[CH](C)O[CH]1[CH](NC(C)=O)[CH](O[CH](CO)[CH]1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2NC(C)=O)O[P](O)(=O)O[P](O)(=O)OCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)CCC=C(C)C)C(=O)NCCOCCOCCNC(=O)CCCC[CH]3SC[CH]4NC(=O)N[CH]34
InChi:InChI=1S/C93H155N7O23P2S/c1-62(2)29-19-30-63(3)31-20-32-64(4)33-21-34-65(5)35-22-36-66(6)37-23-38-67(7)39-24-40-68(8)41-25-42-69(9)43-26-44-70(10)45-27-46-71(11)47-28-48-72(12)51-54-117-124(111,112)123-125(113,114)122-92-84(98-76(16)104)88(87(79(60-102)120-92)121-91-83(97-75(15)103)86(107)85(106)78(59-101)119-91)118-74(14)90(109)96-73(13)89(108)95-53-56-116-58-57-115-55-52-94-81(105)50-18-17-49-80-82-77(61-126-80)99-93(110)100-82/h29,31,33,35,37,39,41,43,45,47,51,73-74,77-80,82-88,91-92,101-102,106-107H,17-28,30,32,34,36,38,40,42,44,46,48-50,52-61H2,1-16H3,(H,94,105)(H,95,108)(H,96,109)(H,97,103)(H,98,104)(H,111,112)(H,113,114)(H2,99,100,110)/b63-31-,64-33?,65-35?,66-37?,67-39-,68-41-,69-43-,70-45?,71-47?,72-51-/t73-,74+,77-,78+,79+,80-,82-,83+,84+,85-,86+,87+,88+,91-,92+/m0/s1
定義日:2012-01-10
最終更新日:2012-04-13
識別子（ID）:[(2R,3R,4R,5S,6R)-4-[(2R)-1-[[(2S)-1-[2-[2-[2-[5-[(3aS,4S,6aR)-2-oxidanylidene-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethylamino]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-propan-2-yl]oxy-3-acetamido-5-[(2S,3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-(hydroxymethyl)oxan-2-yl] [oxidanyl(3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30,34,38,42-undecaenoxy)phosphoryl] hydrogen phosphate
095
095
表記:tetrahydro-2H-pyran-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
組成式:C17 H20 N2 O4
SMILES:O=C(OC1CCOCC1)C4NCC3(c2ccccc2NC3=O)C4
InChi:InChI=1S/C17H20N2O4/c20-15(23-11-5-7-22-8-6-11)14-9-17(10-18-14)12-3-1-2-4-13(12)19-16(17)21/h1-4,11,14,18H,5-10H2,(H,19,21)/t14-,17-/m1/s1
定義日:2011-11-01
最終更新日:2012-04-13
識別子（ID）:tetrahydro-2H-pyran-4-yl (3S,5'R)-2-oxo-1,2-dihydrospiro[indole-3,3'-pyrrolidine]-5'-carboxylate
EZ4
EZ4
表記:(2S,3R,4R)-2,3,4,5-tetrahydroxy-N-oxo-pentanamide
組成式:C5 H9 N O6
SMILES:O=NC(=O)C(O)C(O)C(O)CO
InChi:InChI=1S/C5H9NO6/c7-1-2(8)3(9)4(10)5(11)6-12/h2-4,7-10H,1H2/t2-,3-,4+/m1/s1
定義日:2011-04-11
最終更新日:2012-04-06
識別子（ID）:(2S,3R,4R)-2,3,4,5-tetrahydroxy-N-oxopentanamide (non-preferred name)
BXR
BXR
表記:2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]ethanamine
組成式:C9 H10 Cl N5
SMILES:Clc1cc(c(cc1)n2nnnc2)CCN
InChi:InChI=1S/C9H10ClN5/c10-8-1-2-9(7(5-8)3-4-11)15-6-12-13-14-15/h1-2,5-6H,3-4,11H2
定義日:2011-07-25
最終更新日:2012-04-06
識別子（ID）:2-[5-chloro-2-(1H-tetrazol-1-yl)phenyl]ethanamine

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