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NBX
NBX
表記:N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
組成式:C14 H19 N3 O7
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(N)cc2
InChi:InChI=1S/C14H19N3O7/c15-7-3-1-6(2-4-7)12(22)16-14(23)17-13-11(21)10(20)9(19)8(5-18)24-13/h1-4,8-11,13,18-21H,5,15H2,(H2,16,17,22,23)/t8-,9-,10+,11-,13-/m1/s1
別名:N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine
定義日:2008-02-13
最終更新日:2020-07-17
識別子（ID）:N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
NBY
NBY
表記:N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
組成式:C14 H17 N3 O9
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc([N+]([O-])=O)cc2
InChi:InChI=1S/C14H17N3O9/c18-5-8-9(19)10(20)11(21)13(26-8)16-14(23)15-12(22)6-1-3-7(4-2-6)17(24)25/h1-4,8-11,13,18-21H,5H2,(H2,15,16,22,23)/t8-,9-,10+,11-,13-/m1/s1
別名:N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine
定義日:2008-02-13
最終更新日:2020-07-17
識別子（ID）:N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
NFG
NFG
表記:2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside
組成式:C12 H13 F N2 O9
SMILES:[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1F)CO)c([N+]([O-])=O)c2
InChi:InChI=1S/C12H13FN2O9/c13-9-11(18)10(17)8(4-16)24-12(9)23-7-2-1-5(14(19)20)3-6(7)15(21)22/h1-3,8-12,16-18H,4H2/t8-,9-,10-,11-,12-/m1/s1
別名:2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucoside
定義日:2000-07-07
最終更新日:2020-07-17
識別子（ID）:2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside
NG1
NG1
表記:2-acetamido-2-deoxy-1-O-phosphono-alpha-D-galactopyranose
組成式:C8 H16 N O9 P
SMILES:O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)O
InChi:InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6+,7-,8-/m1/s1
別名:N-ACETYL-ALPHA-D-GALACTOSAMINE 1-PHOSPHATE
定義日:2005-06-27
最終更新日:2020-07-17
識別子（ID）:2-(acetylamino)-2-deoxy-1-O-phosphono-alpha-D-galactopyranose
NG6
NG6
表記:2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranose
組成式:C8 H15 N O9 S
SMILES:O=S(=O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
InChi:InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6+,7-,8-/m1/s1
別名:N-ACETYL-D-GALACTOSAMINE 6-SULFATE
定義日:2000-12-12
最終更新日:2020-07-17
識別子（ID）:2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-galactopyranose
NGC
NGC
表記:N-glycolyl-alpha-neuraminic acid
組成式:C11 H19 N O10
SMILES:O=C(O)C1(O)OC(C(NC(=O)CO)C(O)C1)C(O)C(O)CO
InChi:InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11+/m0/s1
別名:N-glycolylneuraminic acid
定義日:2008-07-25
最終更新日:2020-07-17
識別子（ID）:3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
NGE
NGE
表記:N-glycolyl-beta-neuraminic acid
組成式:C11 H19 N O10
SMILES:O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)CO)C(O)C1
InChi:InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11-/m0/s1
別名:N-glycolylneuraminic acid
定義日:2009-11-05
最終更新日:2020-07-17
識別子（ID）:3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid
NGK
NGK
表記:2-acetamido-2-deoxy-4-O-sulfo-alpha-D-galactopyranose
組成式:C8 H15 N O9 S
SMILES:O=S(=O)(O)OC1C(OC(O)C(NC(=O)C)C1O)CO
InChi:InChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8+/m1/s1
別名:2-(ACETYLAMINO)-2-DEOXY-4-O-SULFO-ALPHA-D-GALACTOPYRANOSE
定義日:2003-04-15
最終更新日:2020-07-17
識別子（ID）:2-(acetylamino)-2-deoxy-4-O-sulfo-alpha-D-galactopyranose
NGR
NGR
表記:3-O-alpha-D-glucopyranosyl-alpha-D-glucopyranose
組成式:C12 H22 O11
SMILES:O(C1C(O)C(O)OC(CO)C1O)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H22O11/c13-1-3-5(15)7(17)8(18)12(22-3)23-10-6(16)4(2-14)21-11(20)9(10)19/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8-,9-,10+,11+,12-/m1/s1
定義日:2008-05-29
最終更新日:2020-07-17
識別子（ID）:3-O-alpha-D-glucopyranosyl-alpha-D-glucopyranose
NGS
NGS
表記:2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose
組成式:C8 H15 N O9 S
SMILES:O=S(=O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
InChi:InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6-,7-,8-/m1/s1
別名:2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranose
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranose
NGY
NGY
表記:2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose
組成式:C8 H15 N O9 S
SMILES:O=S(=O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
InChi:InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6-,7-,8+/m1/s1
別名:2-(acetylamino)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose
定義日:2008-06-13
最終更新日:2020-07-17
識別子（ID）:2-(acetylamino)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose
NGZ
NGZ
表記:2-acetamido-2-deoxy-alpha-L-glucopyranose
組成式:C8 H15 N O6
SMILES:C1(C(C(C(C(CO)O1)O)O)NC(C)=O)O
InChi:InChI=1S/C8H15NO6/c1-3(11)9-5-7(13)6(12)4(2-10)15-8(5)14/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6-,7-,8+/m0/s1
別名:N-acetyl-alpha-L-glucosamine
定義日:2004-06-10
最終更新日:2020-07-17
識別子（ID）:2-(acetylamino)-2-deoxy-alpha-L-glucopyranose
NHF
NHF
表記:1,5-anhydro-D-fructose
組成式:C6 H10 O5
SMILES:O=C1COC(CO)C(O)C1O
InChi:InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h4-7,9-10H,1-2H2/t4-,5-,6-/m1/s1
定義日:2009-01-20
最終更新日:2020-07-17
識別子（ID）:1,5-anhydro-D-fructose
ULV
ULV
表記:4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
組成式:C26 H22 F3 N7 O3
SMILES:n1c(c2c(nc(n2cc1)C3CCC4N(C3)C(OC4)=O)c6ccc(C(=O)Nc5nccc(C(F)(F)F)c5)cc6)N
InChi:InChI=1S/C26H22F3N7O3/c27-26(28,29)17-7-8-31-19(11-17)33-24(37)15-3-1-14(2-4-15)20-21-22(30)32-9-10-35(21)23(34-20)16-5-6-18-13-39-25(38)36(18)12-16/h1-4,7-11,16,18H,5-6,12-13H2,(H2,30,32)(H,31,33,37)/t16-,18+/m1/s1
定義日:2020-05-22
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:4-{8-amino-3-[(6R,8aS)-3-oxohexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
ULY
ULY
表記:4-{8-amino-3-[(6R,8aS)-3-oxo-3,5,6,7,8,8a-hexahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
組成式:C28 H26 F3 N7 O3
SMILES:n1ccn2c(c1N)c(nc2C3CN4C(CC3)CCC4=O)c5ccc(cc5OC)C(Nc6nccc(c6)C(F)(F)F)=O
InChi:InChI=1S/C28H26F3N7O3/c1-41-20-12-15(27(40)35-21-13-17(8-9-33-21)28(29,30)31)3-6-19(20)23-24-25(32)34-10-11-37(24)26(36-23)16-2-4-18-5-7-22(39)38(18)14-16/h3,6,8-13,16,18H,2,4-5,7,14H2,1H3,(H2,32,34)(H,33,35,40)/t16-,18+/m1/s1
定義日:2020-05-22
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-methoxy-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
UM4
UM4
表記:4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
組成式:C30 H28 F3 N7 O3
SMILES:n1c(c2c(nc(n2cc1)C3CCC4N(C3)C(CC4)=O)c6ccc(C(Nc5nccc(C(F)(F)F)c5)=O)cc6OC7CC7)N
InChi:InChI=1S/C30H28F3N7O3/c31-30(32,33)18-9-10-35-23(14-18)37-29(42)16-2-7-21(22(13-16)43-20-5-6-20)25-26-27(34)36-11-12-39(26)28(38-25)17-1-3-19-4-8-24(41)40(19)15-17/h2,7,9-14,17,19-20H,1,3-6,8,15H2,(H2,34,36)(H,35,37,42)/t17-,19+/m1/s1
定義日:2020-05-22
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:4-{8-amino-3-[(6R,8aS)-3-oxooctahydroindolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl}-3-(cyclopropyloxy)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
9WJ
9WJ
表記:4-acetamido-4,6-dideoxy-beta-D-mannopyranose
組成式:C8 H15 N O5
SMILES:OC1C(C(OC(C1NC(=O)C)C)O)O
InChi:InChI=1S/C8H15NO5/c1-3-5(9-4(2)10)6(11)7(12)8(13)14-3/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7+,8-/m1/s1
別名:4-(acetylamino)-4,6-dideoxy-beta-D-mannopyranose
定義日:2017-06-19
最終更新日:2020-07-17
公開日:2018-10-24
識別子（ID）:4-(acetylamino)-4,6-dideoxy-beta-D-mannopyranose
9WN
9WN
表記:(2R)-2-(alpha-D-glucopyranosyloxy)-3-hydroxypropanoic acid
組成式:C9 H16 O9
SMILES:OC[CH]1O[CH](O[CH](CO)C(O)=O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)/t3-,4-,5-,6+,7-,9-/m1/s1
別名:(2~{R})-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-propanoic acid
定義日:2017-07-20
最終更新日:2020-07-17
公開日:2018-08-08
識別子（ID）:(2~{R})-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-propanoic acid
UMV
UMV
表記:methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate
組成式:C27 H23 N3 O6
SMILES:c3c(c(Oc2c(C)c1cc(C#N)ccc1c(c2)CC(=O)OC)ccc3)OCCN4C=CC(NC4=O)=O
InChi:InChI=1S/C27H23N3O6/c1-17-21-13-18(16-28)7-8-20(21)19(15-26(32)34-2)14-24(17)36-23-6-4-3-5-22(23)35-12-11-30-10-9-25(31)29-27(30)33/h3-10,13-14H,11-12,15H2,1-2H3,(H,29,31,33)
定義日:2020-05-25
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:methyl (6-cyano-3-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-4-methylnaphthalen-1-yl)acetate
UMY
UMY
表記:7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-5-fluoro-8-methylnaphthalene-2-carbonitrile
組成式:C24 H18 F N3 O4
SMILES:c2(c1c(cc(cc1)C#N)c(C)c(c2)Oc4ccccc4OCCN3C=CC(=O)NC3=O)F
InChi:InChI=1S/C24H18FN3O4/c1-15-18-12-16(14-26)6-7-17(18)19(25)13-22(15)32-21-5-3-2-4-20(21)31-11-10-28-9-8-23(29)27-24(28)30/h2-9,12-13H,10-11H2,1H3,(H,27,29,30)
定義日:2020-05-25
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-5-fluoro-8-methylnaphthalene-2-carbonitrile
9WZ
9WZ
表記:2-hydroxy-4-(2-hydroxyethyl)phenyl beta-D-fructofuranoside
組成式:C14 H20 O8
SMILES:OCCc1ccc(O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)c(O)c1
InChi:InChI=1S/C14H20O8/c15-4-3-8-1-2-10(9(18)5-8)21-14(7-17)13(20)12(19)11(6-16)22-14/h1-2,5,11-13,15-20H,3-4,6-7H2/t11-,12-,13+,14-/m1/s1
別名:(2~{S},3~{S},4~{S},5~{R})-2-[4-(2-hydroxyethyl)-2-oxidanyl-phenoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol
定義日:2017-07-21
最終更新日:2020-07-17
公開日:2018-11-28
識別子（ID）:(2~{S},3~{S},4~{S},5~{R})-2-[4-(2-hydroxyethyl)-2-oxidanyl-phenoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol
UNS
UNS
表記:7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile
組成式:C25 H20 F N3 O4
SMILES:c2(c1c(cc(cc1)C#N)c(C)c(c2)Oc4ccc(cc4OCCN3C=CC(=O)NC3=O)F)C
InChi:InChI=1S/C25H20FN3O4/c1-15-11-22(16(2)20-12-17(14-27)3-5-19(15)20)33-21-6-4-18(26)13-23(21)32-10-9-29-8-7-24(30)28-25(29)31/h3-8,11-13H,9-10H2,1-2H3,(H,28,30,31)
定義日:2020-05-25
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]-4-fluorophenoxy}-5,8-dimethylnaphthalene-2-carbonitrile
UO4
UO4
表記:5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile
組成式:C28 H25 N3 O4
SMILES:c1c(c(ccc1)Oc3c(C)c2cc(C#N)ccc2c(c3)CC4CC4)OCCN5C=CC(NC5=O)=O
InChi:InChI=1S/C28H25N3O4/c1-18-23-15-20(17-29)8-9-22(23)21(14-19-6-7-19)16-26(18)35-25-5-3-2-4-24(25)34-13-12-31-11-10-27(32)30-28(31)33/h2-5,8-11,15-16,19H,6-7,12-14H2,1H3,(H,30,32,33)
定義日:2020-05-25
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:5-(cyclopropylmethyl)-7-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}-8-methylnaphthalene-2-carbonitrile
9YW
9YW
表記:(alpha-D-glucopyranosyloxy)acetic acid
組成式:C8 H14 O8
SMILES:OC[CH]1O[CH](OCC(O)=O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C8H14O8/c9-1-3-5(12)6(13)7(14)8(16-3)15-2-4(10)11/h3,5-9,12-14H,1-2H2,(H,10,11)/t3-,5-,6+,7-,8+/m1/s1
別名:Glucosylglycolate
定義日:2017-08-05
最終更新日:2020-07-17
公開日:2018-08-29
識別子（ID）:2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxyethanoic acid
A0K
A0K
表記:1,3-dihydroxypropan-2-yl alpha-D-glucopyranoside
組成式:C9 H18 O8
SMILES:OCC(CO)O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C9H18O8/c10-1-4(2-11)16-9-8(15)7(14)6(13)5(3-12)17-9/h4-15H,1-3H2/t5-,6-,7+,8-,9+/m1/s1
別名:(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[1,3-bis(oxidanyl)propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol
定義日:2017-08-08
最終更新日:2020-07-17
公開日:2018-08-29
識別子（ID）:(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[1,3-bis(oxidanyl)propan-2-yloxy]-6-(hydroxymethyl)oxane-3,4,5-triol

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件を2025-07-09に公開中

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