Loading
PDBj
English日本語简体中文繁體中文한국어
✖
ﾒﾆｭｰPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
E5G
E5G
表記:5-hydroxypentyl alpha-D-glucopyranoside
組成式:C11 H22 O7
SMILES:O(CCCCCO)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C11H22O7/c12-4-2-1-3-5-17-11-10(16)9(15)8(14)7(6-13)18-11/h7-16H,1-6H2/t7-,8-,9+,10-,11+/m1/s1
別名:5-hydroxypentyl alpha-D-glucoside
定義日:2012-01-11
最終更新日:2020-07-17
識別子（ID）:5-hydroxypentyl alpha-D-glucopyranoside
EAG
EAG
表記:2-aminoethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
組成式:C10 H20 N2 O6
SMILES:O=C(NC1C(O)C(O)C(OC1OCCN)CO)C
InChi:InChI=1S/C10H20N2O6/c1-5(14)12-7-9(16)8(15)6(4-13)18-10(7)17-3-2-11/h6-10,13,15-16H,2-4,11H2,1H3,(H,12,14)/t6-,7-,8-,9-,10-/m1/s1
別名:2-aminoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
定義日:2008-01-23
最終更新日:2020-07-17
識別子（ID）:2-aminoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
EBG
EBG
表記:2-[(2S)-oxiran-2-yl]ethyl alpha-D-glucopyranoside
組成式:C10 H18 O7
SMILES:O(CCC1OC1)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C10H18O7/c11-3-6-7(12)8(13)9(14)10(17-6)15-2-1-5-4-16-5/h5-14H,1-4H2/t5-,6+,7+,8-,9+,10-/m0/s1
別名:2-HYDROXYMETHYL-6-(2-OXIRANYL-ETHOXY)-TETRAHYDRO-PYRAN-3,4,5-TRIOL
定義日:2002-11-28
最終更新日:2020-07-17
識別子（ID）:2-[(2S)-oxiran-2-yl]ethyl alpha-D-glucopyranoside
EBQ
EBQ
表記:(3S)-3-hydroxybutyl alpha-D-glucopyranoside
組成式:C10 H20 O7
SMILES:C[CH](O)CCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C10H20O7/c1-5(12)2-3-16-10-9(15)8(14)7(13)6(4-11)17-10/h5-15H,2-4H2,1H3/t5-,6+,7+,8-,9+,10-/m0/s1
別名:(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{S})-3-oxidanylbutoxy]oxane-3,4,5-triol
定義日:2010-06-04
最終更新日:2020-07-17
識別子（ID）:(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{S})-3-oxidanylbutoxy]oxane-3,4,5-triol
H53
H53
表記:(1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol
組成式:C12 H16 O7
SMILES:OC1C(O)C(O)C(OC1CO)c2cc(O)ccc2O
InChi:InChI=1S/C12H16O7/c13-4-8-9(16)10(17)11(18)12(19-8)6-3-5(14)1-2-7(6)15/h1-3,8-18H,4H2/t8-,9-,10+,11-,12+/m1/s1
別名:2-(2,5-DIHYDROXYPHENYL)-6-(HYDROXYMETHYL)OXANE-3,4,5-TRIOL
定義日:2006-01-23
最終更新日:2020-07-17
識別子（ID）:(1S)-1,5-anhydro-1-(2,5-dihydroxyphenyl)-D-glucitol
H6Q
H6Q
表記:2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-beta-D-glucopyranose
組成式:C9 H19 O11 P
SMILES:C[CH](O[P](O)(=O)O[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O)C(O)O
InChi:InChI=1S/C9H19O11P/c1-3(8(13)14)19-21(16,17)20-7-6(12)5(11)4(2-10)18-9(7)15/h3-15H,2H2,1H3,(H,16,17)/t3-,4+,5+,6-,7+,9+/m0/s1
別名:[(2~{S})-1,1-bis(oxidanyl)propan-2-yl] [(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
定義日:2018-11-19
最終更新日:2020-07-17
公開日:2019-01-23
識別子（ID）:[(2~{S})-1,1-bis(oxidanyl)propan-2-yl] [(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
H6Z
H6Z
表記:2-O-[(R)-{[(2S)-1,1-dihydroxypropan-2-yl]oxy}(hydroxy)phosphoryl]-alpha-D-glucopyranose
組成式:C9 H19 O11 P
SMILES:C[CH](O[P](O)(=O)O[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O)C(O)O
InChi:InChI=1S/C9H19O11P/c1-3(8(13)14)19-21(16,17)20-7-6(12)5(11)4(2-10)18-9(7)15/h3-15H,2H2,1H3,(H,16,17)/t3-,4+,5+,6-,7+,9-/m0/s1
別名:[(2~{S})-1,1-bis(oxidanyl)propan-2-yl] [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
定義日:2018-11-19
最終更新日:2020-07-17
公開日:2019-01-23
識別子（ID）:[(2~{S})-1,1-bis(oxidanyl)propan-2-yl] [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl] hydrogen phosphate
HBZ
HBZ
表記:N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
組成式:C14 H18 N2 O8
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(O)cc2
InChi:InChI=1S/C14H18N2O8/c17-5-8-9(19)10(20)11(21)13(24-8)16-14(23)15-12(22)6-1-3-7(18)4-2-6/h1-4,8-11,13,17-21H,5H2,(H2,15,16,22,23)/t8-,9-,10+,11-,13-/m1/s1
別名:N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-beta-D-glucosylamine
定義日:2008-02-12
最終更新日:2020-07-17
識別子（ID）:N-{[(4-hydroxyphenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
HD4
HD4
表記:4-O-[2-acetamido-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol
組成式:C13 H26 N O13 P
SMILES:C1(OC(CO)C(O)C(COP(O)(O)=O)O)C(NC(C)=O)C(C(C(O1)CO)O)O
InChi:InChI=1S/C13H26NO13P/c1-5(17)14-9-12(21)11(20)8(3-16)27-13(9)26-7(2-15)10(19)6(18)4-25-28(22,23)24/h6-13,15-16,18-21H,2-4H2,1H3,(H,14,17)(H2,22,23,24)/t6-,7+,8+,9+,10-,11+,12+,13+/m0/s1
別名:4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol
定義日:2018-06-26
最終更新日:2020-07-17
公開日:2018-08-29
識別子（ID）:4-O-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-1-O-phosphono-D-ribitol
JRV
JRV
表記:methyl 6-S-beta-D-glucopyranosyl-6-thio-beta-D-glucopyranoside
組成式:C13 H24 O10 S
SMILES:C1(OC(C(O)C(C1O)O)SCC2OC(C(C(C2O)O)O)OC)CO
InChi:InChI=1S/C13H24O10S/c1-21-12-10(19)8(17)7(16)5(22-12)3-24-13-11(20)9(18)6(15)4(2-14)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10-,11-,12-,13+/m1/s1
別名:METHYL 6-THIO-BETA-GENTIOBIOSIDE
定義日:2018-09-19
最終更新日:2020-07-17
公開日:2019-05-29
識別子（ID）:methyl 6-S-beta-D-glucopyranosyl-6-thio-beta-D-glucopyranoside
JS2
JS2
表記:5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D- ribofuranose
組成式:C14 H23 N5 O12 P2
SMILES:O=C3NC=Nc1c3nc(N)n1CCCCOP(=O)(O)OP(=O)(O)OCC2OC(O)C(O)C2O
InChi:InChI=1S/C14H23N5O12P2/c15-14-18-8-11(16-6-17-12(8)22)19(14)3-1-2-4-28-32(24,25)31-33(26,27)29-5-7-9(20)10(21)13(23)30-7/h6-7,9-10,13,20-21,23H,1-5H2,(H2,15,18)(H,24,25)(H,26,27)(H,16,17,22)/t7-,9-,10-,13+/m1/s1
別名:5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D- ribose
定義日:2014-06-18
最終更新日:2020-07-17
公開日:2015-05-13
識別子（ID）:5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D- ribofuranose
JSV
JSV
表記:methyl 2-S-beta-D-glucopyranosyl-2-thio-beta-D-glucopyranoside
組成式:C13 H24 O10 S
SMILES:OC1C(OC(C(C1O)O)CO)SC2C(O)C(O)C(OC2OC)CO
InChi:InChI=1S/C13H24O10S/c1-21-12-11(9(19)7(17)4(2-14)22-12)24-13-10(20)8(18)6(16)5(3-15)23-13/h4-20H,2-3H2,1H3/t4-,5-,6-,7-,8+,9+,10-,11-,12-,13+/m1/s1
別名:METHYL 2-THIO-BETA-SOPHOROSIDE
定義日:2018-09-20
最終更新日:2020-07-17
公開日:2019-05-29
識別子（ID）:methyl 2-S-beta-D-glucopyranosyl-2-thio-beta-D-glucopyranoside
JV4
JV4
表記:6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucopyranose
組成式:C6 H12 F O8 P
SMILES:C1(C(C(OC(C1O)CF)OP(O)(=O)O)O)O
InChi:InChI=1S/C6H12FO8P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-6,8-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
別名:6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucose
定義日:2018-09-28
最終更新日:2020-07-17
公開日:2019-07-31
識別子（ID）:6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucopyranose
JVA
JVA
表記:2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-D-glycero-D-manno-heptitol
組成式:C7 H14 F O7 P
SMILES:C1(OC(C(C(C1F)O)O)CO)CP(O)(O)=O
InChi:InChI=1S/C7H14FO7P/c8-5-4(2-16(12,13)14)15-3(1-9)6(10)7(5)11/h3-7,9-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-,7-/m1/s1
定義日:2018-10-01
最終更新日:2020-07-17
公開日:2019-07-31
識別子（ID）:2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-D-glycero-D-manno-heptitol
JVS
JVS
表記:1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose
組成式:C7 H14 F O9 P
SMILES:C1(C(C(CF)(OC(C1O)CO)OP(O)(=O)O)O)O
InChi:InChI=1S/C7H14FO9P/c8-2-7(17-18(13,14)15)6(12)5(11)4(10)3(1-9)16-7/h3-6,9-12H,1-2H2,(H2,13,14,15)/t3-,4-,5+,6-,7-/m1/s1
別名:1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulose
定義日:2018-10-04
最終更新日:2020-07-17
公開日:2019-07-31
識別子（ID）:1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose
JZR
JZR
表記:hexyl beta-D-glucopyranoside
組成式:C12 H24 O6
SMILES:CCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9-,10+,11-,12-/m1/s1
別名:hexyl beta-D-glucoside
定義日:2009-11-11
最終更新日:2020-07-17
識別子（ID）:(2R,3R,4S,5S,6R)-2-hexoxy-6-(hydroxymethyl)oxane-3,4,5-triol
8EX
8EX
表記:2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactopyranose
組成式:C8 H15 N O12 S2
SMILES:CC(=O)N[CH]1[CH](O)O[CH](CO[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O
InChi:InChI=1S/C8H15NO12S2/c1-3(10)9-5-6(11)7(21-23(16,17)18)4(20-8(5)12)2-19-22(13,14)15/h4-8,11-12H,2H2,1H3,(H,9,10)(H,13,14,15)(H,16,17,18)/t4-,5-,6-,7+,8-/m1/s1
別名:[(2R,3R,4R,5R,6R)-5-acetamido-4,6-bis(oxidanyl)-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate
定義日:2017-06-22
最終更新日:2020-07-17
公開日:2018-01-17
識別子（ID）:[(2~{R},3~{R},4~{R},5~{R},6~{R})-5-acetamido-4,6-bis(oxidanyl)-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate
8GP
8GP
表記:N-[(cyclopropylamino)(oxo)acetyl]-beta-D-glucopyranosylamine
組成式:C11 H18 N2 O7
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)NC2CC2
InChi:InChI=1S/C11H18N2O7/c14-3-5-6(15)7(16)8(17)11(20-5)13-10(19)9(18)12-4-1-2-4/h4-8,11,14-17H,1-3H2,(H,12,18)(H,13,19)/t5-,6-,7+,8-,11-/m1/s1
別名:N-(BETA-D-GLUCOPYRANOSYL)-N'-CYCLOPROPYL OXALAMIDE
定義日:2006-01-25
最終更新日:2020-07-17
識別子（ID）:N-[(cyclopropylamino)(oxo)acetyl]-beta-D-glucopyranosylamine
8LM
8LM
表記:2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni c acid
組成式:C21 H26 N4 O8
SMILES:C(=O)(NC1C(O)C(=C(C(O)=O)OC1C(C(CO)O)O)n3cc(c2ccccc2)nn3)C(C)C
InChi:InChI=1S/C21H26N4O8/c1-10(2)20(30)22-14-17(29)15(19(21(31)32)33-18(14)16(28)13(27)9-26)25-8-12(23-24-25)11-6-4-3-5-7-11/h3-8,10,13-14,16-18,26-29H,9H2,1-2H3,(H,22,30)(H,31,32)/t13-,14-,16-,17-,18-/m1/s1
定義日:2017-02-15
最終更新日:2020-07-17
公開日:2018-06-27
識別子（ID）:2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni c acid
8LR
8LR
表記:2-hydroxyethyl alpha-D-mannopyranoside
組成式:C8 H16 O7
SMILES:O(CCO)C1OC(C(O)C(O)C1O)CO
InChi:InChI=1S/C8H16O7/c9-1-2-14-8-7(13)6(12)5(11)4(3-10)15-8/h4-13H,1-3H2/t4-,5-,6+,7+,8+/m1/s1
別名:2-hydroxyethyl alpha-D-mannoside
定義日:2014-04-22
最終更新日:2020-07-17
公開日:2015-04-22
識別子（ID）:2-hydroxyethyl alpha-D-mannopyranoside
8PK
8PK
表記:4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose
組成式:C9 H18 O6
SMILES:CO[CH]1[CH](O)O[CH](C)[CH](O[CH](C)O)[CH]1O
InChi:InChI=1S/C9H18O6/c1-4-7(15-5(2)10)6(11)8(13-3)9(12)14-4/h4-12H,1-3H3/t4-,5+,6+,7+,8-,9+/m0/s1
別名:2-O-methyl, 4-O-Acetyl-alpha-L-fucosepyranose
定義日:2017-02-18
最終更新日:2020-07-17
公開日:2017-03-22
識別子（ID）:(2~{R},3~{S},4~{R},5~{S},6~{S})-3-methoxy-6-methyl-5-[(1~{R})-1-oxidanylethoxy]oxane-2,4-diol
2F8
2F8
表記:methyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
組成式:C9 H17 N O6
SMILES:O=C(NC1C(O)C(O)C(OC1OC)CO)C
InChi:InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7-,8-,9+/m1/s1
別名:methyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside
定義日:2013-10-08
最終更新日:2020-07-17
公開日:2013-11-20
識別子（ID）:methyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside
2FL
2FL
表記:2-FLUORO-2-DEOXY-LACTOSE
組成式:C12 H21 F O10
SMILES:FC2C(O)C(O)C(OC2OC1C(OC(O)C(O)C1O)CO)CO
InChi:InChI=1S/C12H21FO10/c13-5-7(17)6(16)3(1-14)22-12(5)23-10-4(2-15)21-11(20)9(19)8(10)18/h3-12,14-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1
別名:2-FLUORO-2-DEOXY-BETA-D-GALACTOPYRANOSYL-BETA-D-GLUCOPYRANOSE
定義日:2001-09-27
最終更新日:2020-07-17
識別子（ID）:4-O-(2-deoxy-2-fluoro-beta-D-galactopyranosyl)-beta-D-glucopyranose
K4W
K4W
表記:4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol
組成式:C18 H26 N6 O3
SMILES:CC[CH](CO)Nc1nc(NCc2ccc(O)cc2)c(N=O)c(NC(C)C)n1
InChi:InChI=1S/C18H26N6O3/c1-4-13(10-25)21-18-22-16(15(24-27)17(23-18)20-11(2)3)19-9-12-5-7-14(26)8-6-12/h5-8,11,13,25-26H,4,9-10H2,1-3H3,(H3,19,20,21,22,23)/t13-/m1/s1
定義日:2019-04-24
最終更新日:2020-07-17
公開日:2020-07-22
識別子（ID）:4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol
K5B
K5B
表記:4,7-anhydro-3-deoxy-D-gluco-oct-2-ulosonic acid
組成式:C8 H12 O7
SMILES:OC[CH]1O[CH](CC(=O)C(O)=O)[CH](O)[CH]1O
InChi:InChI=1S/C8H12O7/c9-2-5-7(12)6(11)4(15-5)1-3(10)8(13)14/h4-7,9,11-12H,1-2H2,(H,13,14)/t4-,5+,6+,7+/m0/s1
別名:4,7-anhydro-3-deoxy-D-manno-oct-2-ulosonic acid
定義日:2017-09-07
最終更新日:2020-07-17
公開日:2018-06-20
識別子（ID）:3-[(2~{S},3~{S},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]-2-oxidanylidene-propanoic acid

223790

件を2024-08-14に公開中

PDB statisticsPDBj update infoContact PDBjnumon