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
4SG
4SG
表記:4-thio-alpha-D-glucopyranose
組成式:C6 H12 O5 S
SMILES:OC1C(S)C(OC(O)C1O)CO
InChi:InChI=1S/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6+/m1/s1
定義日:2012-08-08
最終更新日:2020-07-17
公開日:2020-07-29
識別子（ID）:4-thio-alpha-D-glucopyranose
4U0
4U0
表記:(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->6)-beta-D-gal actopyranosyl-(1->4)-beta-D-glucopyranose
組成式:C23 H39 N O19
SMILES:C2(C(O)C(C(OC1C(CO)OC(O)C(C1O)O)OC2COC3(OC(C(C(C3)O)NC(=O)C)C(C(CO)O)O)C(O)=O)O)O
InChi:InChI=1S/C23H39NO19/c1-6(27)24-11-7(28)2-23(22(37)38,43-19(11)12(30)8(29)3-25)39-5-10-13(31)14(32)17(35)21(41-10)42-18-9(4-26)40-20(36)16(34)15(18)33/h7-21,25-26,28-36H,2-5H2,1H3,(H,24,27)(H,37,38)/t7-,8+,9+,10+,11+,12+,13-,14-,15+,16+,17+,18+,19+,20+,21-,23+/m0/s1
定義日:2015-05-27
最終更新日:2020-07-17
公開日:2015-11-18
識別子（ID）:(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose
4U1
4U1
表記:(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->6)-beta-D-gal actopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
組成式:C25 H42 N2 O19
SMILES:C2(C(O)C(C(OC1C(C(NC(C)=O)C(OC1CO)O)O)OC2COC3(OC(C(C(C3)O)NC(=O)C)C(C(CO)O)O)C(O)=O)O)O
InChi:InChI=1S/C25H42N2O19/c1-7(30)26-13-9(32)3-25(24(40)41,46-21(13)15(34)10(33)4-28)42-6-12-16(35)18(37)19(38)23(44-12)45-20-11(5-29)43-22(39)14(17(20)36)27-8(2)31/h9-23,28-29,32-39H,3-6H2,1-2H3,(H,26,30)(H,27,31)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18-,19+,20+,21+,22+,23-,25+/m0/s1
定義日:2015-05-27
最終更新日:2020-07-17
公開日:2015-11-18
識別子（ID）:(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->6)-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
4U2
4U2
表記:(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-gal actopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
組成式:C25 H42 N2 O19
SMILES:C2(C(C(C(OC1C(C(NC(C)=O)C(OC1CO)O)O)OC2CO)O)OC3(OC(C(C(C3)O)NC(=O)C)C(O)C(CO)O)C(O)=O)O
InChi:InChI=1S/C25H42N2O19/c1-7(31)26-13-9(33)3-25(24(40)41,45-20(13)15(35)10(34)4-28)46-21-16(36)11(5-29)43-23(18(21)38)44-19-12(6-30)42-22(39)14(17(19)37)27-8(2)32/h9-23,28-30,33-39H,3-6H2,1-2H3,(H,26,31)(H,27,32)(H,40,41)/t9-,10+,11+,12+,13+,14+,15+,16-,17+,18+,19+,20+,21-,22+,23-,25-/m0/s1
定義日:2015-05-27
最終更新日:2020-07-17
公開日:2015-11-18
識別子（ID）:(6R)-5-(acetylamino)-3,5-dideoxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-beta-L-threo-hex-2-ulopyranonosyl-(2->3)-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
4UZ
4UZ
表記:2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-D-glucopyranose
組成式:C14 H19 N O7
SMILES:C2(O)C(NC(OCc1ccccc1)=O)C(OC(C2O)CO)O
InChi:InChI=1S/C14H19NO7/c16-6-9-11(17)12(18)10(13(19)22-9)15-14(20)21-7-8-4-2-1-3-5-8/h1-5,9-13,16-19H,6-7H2,(H,15,20)/t9-,10-,11-,12-,13-/m1/s1
別名:N-[(benzyloxy)carbonyl]-beta-D-glucosamine
定義日:2015-06-02
最終更新日:2020-07-17
公開日:2015-06-17
識別子（ID）:2-{[(benzyloxy)carbonyl]amino}-2-deoxy-beta-D-glucopyranose
4V5
4V5
表記:2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-D-glucopyranose
組成式:C15 H21 N O7
SMILES:c2cc(CCC(NC1C(C(C(OC1O)CO)O)O)=O)ccc2O
InChi:InChI=1S/C15H21NO7/c17-7-10-13(20)14(21)12(15(22)23-10)16-11(19)6-3-8-1-4-9(18)5-2-8/h1-2,4-5,10,12-15,17-18,20-22H,3,6-7H2,(H,16,19)/t10-,12-,13-,14-,15+/m1/s1
別名:N-[3-(4-hydroxyphenyl)propanoyl]-alpha-D-glucosamine
定義日:2015-06-04
最終更新日:2020-07-17
公開日:2015-06-17
識別子（ID）:2-deoxy-2-{[3-(4-hydroxyphenyl)propanoyl]amino}-alpha-D-glucopyranose
F55
F55
表記:N-{[(4-chlorophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
組成式:C14 H17 Cl N2 O7
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(Cl)cc2
InChi:InChI=1S/C14H17ClN2O7/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,5H2,(H2,16,17,22,23)/t8-,9-,10+,11-,13-/m1/s1
別名:N-{[(4-chlorophenyl)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-chlorophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
F58
F58
表記:N-[(cyclohexylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
組成式:C14 H24 N2 O7
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)C2CCCCC2
InChi:InChI=1S/C14H24N2O7/c17-6-8-9(18)10(19)11(20)13(23-8)16-14(22)15-12(21)7-4-2-1-3-5-7/h7-11,13,17-20H,1-6H2,(H2,15,16,21,22)/t8-,9-,10+,11-,13-/m1/s1
別名:N-[(cyclohexylcarbonyl)carbamoyl]-beta-D-glucosylamine
定義日:2012-11-22
最終更新日:2020-07-17
公開日:2013-12-11
識別子（ID）:N-[(cyclohexylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
MJJ
MJJ
表記:methyl 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
組成式:C14 H23 N O10
SMILES:OC1C(NC(C)=O)C(OC(C1)(C(O)=O)OC)C(C(O)COC(=O)C)O
InChi:InChI=1S/C14H23NO10/c1-6(16)15-10-8(18)4-14(23-3,13(21)22)25-12(10)11(20)9(19)5-24-7(2)17/h8-12,18-20H,4-5H2,1-3H3,(H,15,16)(H,21,22)/t8-,9+,10+,11+,12+,14+/m0/s1
別名:methyl 9-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
定義日:2019-04-08
最終更新日:2020-07-17
公開日:2019-06-05
識別子（ID）:methyl 9-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
MLB
MLB
表記:6-O-alpha-D-galactopyranosyl-alpha-D-glucopyranose
組成式:C12 H22 O11
SMILES:O(CC1OC(O)C(O)C(O)C1O)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H22O11/c13-1-3-5(14)8(17)10(19)12(23-3)21-2-4-6(15)7(16)9(18)11(20)22-4/h3-20H,1-2H2/t3-,4-,5+,6-,7+,8+,9-,10-,11+,12+/m1/s1
別名:melibiose
定義日:2010-08-26
最終更新日:2020-07-17
識別子（ID）:6-O-alpha-D-galactopyranosyl-alpha-D-glucopyranose
MLR
MLR
表記:MALTOTRIOSE
組成式:C18 H32 O16
SMILES:O(C1C(OC(O)C(O)C1O)CO)C3OC(C(OC2OC(CO)C(O)C(O)C2O)C(O)C3O)CO
InChi:InChI=1S/C18H32O16/c19-1-4-7(22)8(23)12(27)17(31-4)34-15-6(3-21)32-18(13(28)10(15)25)33-14-5(2-20)30-16(29)11(26)9(14)24/h4-29H,1-3H2/t4-,5-,6-,7-,8+,9-,10-,11-,12-,13-,14-,15-,16+,17-,18-/m1/s1
別名:AMYLOTRIOSE
定義日:2003-03-03
最終更新日:2020-07-17
識別子（ID）:alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose
MMA
MMA
表記:methyl alpha-D-mannopyranoside
組成式:C7 H14 O6
SMILES:OC1C(O)C(O)C(OC1OC)CO
InChi:InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
別名:O1-METHYL-MANNOSE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:methyl alpha-D-mannopyranoside
50A
50A
表記:2-deoxy-2-fluoro-5-O-phosphono-alpha-D-ribofuranose
組成式:C5 H10 F O7 P
SMILES:FC1C(O)C(OC1O)COP(=O)(O)O
InChi:InChI=1S/C5H10FO7P/c6-3-4(7)2(13-5(3)8)1-12-14(9,10)11/h2-5,7-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5+/m1/s1
別名:Inhibitor CZ-50b arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form
定義日:2011-05-24
最終更新日:2020-07-17
識別子（ID）:2-deoxy-2-fluoro-5-O-phosphono-alpha-D-ribofuranose
510
510
表記:methyl (2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carbox ylate
組成式:C12 H22 N2 O12 S2
SMILES:COC(=O)[CH]1C[CH](CN1[S](=O)(=O)[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)O[S](N)(=O)=O
InChi:InChI=1S/C12H22N2O12S2/c1-24-11(19)6-2-5(26-28(13,22)23)3-14(6)27(20,21)12-10(18)9(17)8(16)7(4-15)25-12/h5-10,12,15-18H,2-4H2,1H3,(H2,13,22,23)/t5-,6+,7+,8-,9-,10-,12+/m1/s1
定義日:2015-07-08
最終更新日:2020-07-17
公開日:2015-08-05
識別子（ID）:methyl (2S,4R)-1-[(2S,3R,4R,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfonyl-4-sulfamoyloxy-pyrrolidine-2-carbox ylate
MN0
MN0
表記:methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
組成式:C12 H21 N O10
SMILES:O=C(O)C1(OC)OC(C(NC(=O)CO)C(O)C1)C(O)C(O)CO
InChi:InChI=1S/C12H21NO10/c1-22-12(11(20)21)2-5(16)8(13-7(18)4-15)10(23-12)9(19)6(17)3-14/h5-6,8-10,14-17,19H,2-4H2,1H3,(H,13,18)(H,20,21)/t5-,6+,8+,9+,10+,12+/m0/s1
別名:methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulosidonic acid
定義日:2011-07-21
最終更新日:2020-07-17
識別子（ID）:methyl 3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
MNA
MNA
表記:2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid
組成式:C12 H21 N O9
SMILES:O=C(O)C1(OC)OC(C(O)C(O)CO)C(NC(=O)C)C(O)C1
InChi:InChI=1S/C12H21NO9/c1-5(15)13-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-14/h6-10,14,16-18H,3-4H2,1-2H3,(H,13,15)(H,19,20)/t6-,7+,8+,9+,10+,12+/m0/s1
別名:2-O-METHYL-5-N-ACETYL-ALPHA-D- NEURAMINIC ACID
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:methyl 5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
51N
51N
表記:5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-alpha-D-ribofuranose
組成式:C5 H13 O14 P3
SMILES:C1(OP(O)(O)=O)OC(C(C1O)O)COP(OP(O)(O)=O)(=O)O
InChi:InChI=1S/C5H13O14P3/c6-3-2(1-16-22(14,15)19-21(11,12)13)17-5(4(3)7)18-20(8,9)10/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
別名:1'-ALPHA-PHOSPHORIBOSYL-5'-PYROPHOSPHORIC ACID
定義日:2015-06-15
最終更新日:2020-07-17
公開日:2016-07-20
識別子（ID）:5-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-1-O-phosphono-alpha-D-ribofuranose
MQG
MQG
表記:2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-beta-D-glucopyranose
組成式:C7 H16 N O7 P
SMILES:C[P](O)(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
InChi:InChI=1S/C7H16NO7P/c1-16(13,14)8-4-6(11)5(10)3(2-9)15-7(4)12/h3-7,9-12H,2H2,1H3,(H2,8,13,14)/t3-,4-,5-,6-,7-/m1/s1
別名:~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]-methyl-phosphonamidic acid
定義日:2016-01-19
最終更新日:2020-07-17
公開日:2016-08-10
識別子（ID）:~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]-methyl-phosphonamidic acid
MQT
MQT
表記:methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
組成式:C17 H22 O8
SMILES:O=C(OC1C(O)C(OC(OC)C1OC(=O)C)CO)c2ccc(cc2)C
InChi:InChI=1S/C17H22O8/c1-9-4-6-11(7-5-9)16(21)25-14-13(20)12(8-18)24-17(22-3)15(14)23-10(2)19/h4-7,12-15,17-18,20H,8H2,1-3H3/t12-,13+,14+,15+,17-/m1/s1
別名:methyl 6-deoxy-1-seleno-beta-L-galactopyranoside
定義日:2011-08-31
最終更新日:2020-07-17
識別子（ID）:methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
MRH
MRH
表記:4-acetamido-4,6-dideoxy-alpha-D-mannopyranose
組成式:C8 H15 N O5
SMILES:C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1NC(C)=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:alpha-N-Acetylperosamine
定義日:2019-10-21
最終更新日:2020-07-17
公開日:2020-01-15
識別子（ID）:~{N}-[(2~{R},3~{S},4~{S},5~{S},6~{S})-2-methyl-4,5,6-tris(oxidanyl)oxan-3-yl]ethanamide
MRP
MRP
表記:3-O-methyl-alpha-L-rhamnopyranose
組成式:C7 H14 O5
SMILES:O(C1C(O)C(OC(O)C1O)C)C
InChi:InChI=1S/C7H14O5/c1-3-4(8)6(11-2)5(9)7(10)12-3/h3-10H,1-2H3/t3-,4-,5+,6+,7+/m0/s1
別名:3-O-METHYL-ALPHA-L-RHAMNOPYRANOSIDE
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:6-deoxy-3-O-methyl-alpha-L-mannopyranose
MSX
MSX
表記:methyl 1,6-dithio-alpha-D-mannopyranoside
組成式:C7 H14 O4 S2
SMILES:OC1C(O)C(O)C(OC1SC)CS
InChi:InChI=1S/C7H14O4S2/c1-13-7-6(10)5(9)4(8)3(2-12)11-7/h3-10,12H,2H2,1H3/t3-,4-,5+,6+,7-/m1/s1
別名:1,6-DIDEOXY-DITHIO-METHYL-ALPHA-D-MANNOSE
定義日:2014-10-27
最終更新日:2020-07-17
公開日:2015-03-25
識別子（ID）:methyl 1,6-dithio-alpha-D-mannopyranoside
MTT
MTT
表記:MALTOTETRAOSE
組成式:C24 H42 O21
SMILES:O(C2C(OC(OC1C(O)C(O)C(O)OC1CO)C(O)C2O)CO)C4OC(C(OC3OC(CO)C(O)C(O)C3O)C(O)C4O)CO
InChi:InChI=1S/C24H42O21/c25-1-5-9(29)10(30)15(35)22(40-5)44-19-7(3-27)42-24(17(37)12(19)32)45-20-8(4-28)41-23(16(36)13(20)33)43-18-6(2-26)39-21(38)14(34)11(18)31/h5-38H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21+,22-,23-,24-/m1/s1
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranose
MUB
MUB
表記:N-acetyl-alpha-muramic acid
組成式:C11 H19 N O8
SMILES:O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)C
InChi:InChI=1S/C11H19NO8/c1-4(10(16)17)19-9-7(12-5(2)14)11(18)20-6(3-13)8(9)15/h4,6-9,11,13,15,18H,3H2,1-2H3,(H,12,14)(H,16,17)/t4-,6-,7-,8-,9-,11+/m1/s1
別名:N-acetyl-muramic acid
定義日:2004-03-16
最終更新日:2020-07-17
識別子（ID）:2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose
MUR
MUR
表記:beta-muramic acid
組成式:C9 H17 N O7
SMILES:O=C(O)C(OC1C(O)C(OC(O)C1N)CO)C
InChi:InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9-/m1/s1
別名:muramic acid
定義日:1999-07-08
最終更新日:2020-07-17
識別子（ID）:2-amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranose

223790

件を2024-08-14に公開中

PDB statisticsPDBj update infoContact PDBjnumon