Chemie クエリの検索結果 - 日本蛋白質構造データバンク

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PDB ウェブページステータス検索化合物検索: 36565 件 BIRD

GNX

GNX
表記:	2-deoxy-3-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose
組成式:	C6 H13 N O11 S2
SMILES:	O=S(=O)(O)OC1C(O)C(OC(O)C1NS(=O)(=O)O)CO
InChi:	InChI=1S/C6H13NO11S2/c8-1-2-4(9)5(18-20(14,15)16)3(6(10)17-2)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1
別名:	2-deoxy-3-O-sulfo-2-(sulfoamino)-alpha-D-glucose
定義日:	2011-11-03
最終更新日:	2020-07-17
公開日:	2012-11-23
識別子（ID）:	2-deoxy-3-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose

GP0

GP0
表記:	5-fluoro-1-[3-C-(hydroxymethyl)-beta-D-glucopyranosyl]pyrimidine-2,4(1H,3H)-dione
組成式:	C11 H15 F N2 O8
SMILES:	FC1=CN(C(=O)NC1=O)C2OC(C(O)C(O)(C2O)CO)CO
InChi:	InChI=1S/C11H15FN2O8/c12-4-1-14(10(20)13-8(4)19)9-7(18)11(21,3-16)6(17)5(2-15)22-9/h1,5-7,9,15-18,21H,2-3H2,(H,13,19,20)/t5-,6-,7+,9-,11+/m1/s1
別名:	5-fluoro-1-[3-C-(hydroxymethyl)-beta-D-glucosyl]pyrimidine-2,4(1H,3H)-dione
定義日:	2011-08-10
最終更新日:	2020-07-17
識別子（ID）:	5-fluoro-1-[3-C-(hydroxymethyl)-beta-D-glucopyranosyl]pyrimidine-2,4(1H,3H)-dione

GP1

GP1
表記:	2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose
組成式:	C6 H14 N O8 P
SMILES:	O=P(OC1OC(C(O)C(O)C1N)CO)(O)O
InChi:	InChI=1S/C6H14NO8P/c7-3-5(10)4(9)2(1-8)14-6(3)15-16(11,12)13/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6-/m1/s1
別名:	GLUCOSAMINE 1-PHOSPHATE
定義日:	1999-09-30
最終更新日:	2020-07-17
識別子（ID）:	2-amino-2-deoxy-1-O-phosphono-alpha-D-glucopyranose

GP4

GP4
表記:	2-amino-2-deoxy-4-O-phosphono-alpha-D-glucopyranose
組成式:	C6 H14 N O8 P
SMILES:	O=P(O)(O)OC1C(OC(O)C(N)C1O)CO
InChi:	InChI=1S/C6H14NO8P/c7-3-4(9)5(15-16(11,12)13)2(1-8)14-6(3)10/h2-6,8-10H,1,7H2,(H2,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
別名:	GLUCOSAMINE 4-PHOSPHATE
定義日:	1999-09-30
最終更新日:	2020-07-17
識別子（ID）:	2-amino-2-deoxy-4-O-phosphono-alpha-D-glucopyranose

GPH

GPH
表記:	4-O-phosphono-D-glycero-beta-D-manno-heptopyranose
組成式:	C7 H15 O10 P
SMILES:	O=P(O)(O)OC1C(OC(O)C(O)C1O)C(O)CO
InChi:	InChI=1S/C7H15O10P/c8-1-2(9)5-6(17-18(13,14)15)3(10)4(11)7(12)16-5/h2-12H,1H2,(H2,13,14,15)/t2-,3-,4+,5-,6+,7-/m1/s1
別名:	4-O-phosphono-D-glycero-beta-D-manno-heptose
定義日:	2000-05-24
最終更新日:	2020-07-17
識別子（ID）:	4-O-phosphono-D-glycero-beta-D-manno-heptopyranose

GPK

GPK
表記:	5-fluoro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione
組成式:	C10 H13 F N2 O7
SMILES:	FC1=CN(C(=O)NC1=O)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C10H13FN2O7/c11-3-1-13(10(19)12-8(3)18)9-7(17)6(16)5(15)4(2-14)20-9/h1,4-7,9,14-17H,2H2,(H,12,18,19)/t4-,5-,6+,7-,9-/m1/s1
別名:	5-fluoro-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione
定義日:	2011-08-10
最終更新日:	2020-07-17
識別子（ID）:	5-fluoro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione

GPM

GPM
表記:	(1S)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol
組成式:	C7 H15 O8 P
SMILES:	O=P(O)(O)CC1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C7H15O8P/c8-1-3-5(9)7(11)6(10)4(15-3)2-16(12,13)14/h3-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6+,7+/m1/s1
別名:	GLUCOPYRANOSYL-1-METHYL-PHOSPHONIC ACID
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	(1S)-1,5-anhydro-1-(phosphonomethyl)-D-glucitol

GPQ

GPQ
表記:	5-chloro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione
組成式:	C10 H13 Cl N2 O7
SMILES:	ClC1=CN(C(=O)NC1=O)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C10H13ClN2O7/c11-3-1-13(10(19)12-8(3)18)9-7(17)6(16)5(15)4(2-14)20-9/h1,4-7,9,14-17H,2H2,(H,12,18,19)/t4-,5-,6+,7-,9-/m1/s1
別名:	5-chloro-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione
定義日:	2011-08-10
最終更新日:	2020-07-17
識別子（ID）:	5-chloro-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione

GPU

GPU
表記:	5-bromo-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione
組成式:	C10 H13 Br N2 O7
SMILES:	BrC1=CN(C(=O)NC1=O)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C10H13BrN2O7/c11-3-1-13(10(19)12-8(3)18)9-7(17)6(16)5(15)4(2-14)20-9/h1,4-7,9,14-17H,2H2,(H,12,18,19)/t4-,5-,6+,7-,9-/m1/s1
別名:	5-bromo-1-(beta-D-glucosyl)pyrimidine-2,4(1H,3H)-dione
定義日:	2011-08-10
最終更新日:	2020-07-17
識別子（ID）:	5-bromo-1-(beta-D-glucopyranosyl)pyrimidine-2,4(1H,3H)-dione

GPV

GPV
表記:	1-(beta-D-glucopyranosyl)-5-iodopyrimidine-2,4(1H,3H)-dione
組成式:	C10 H13 I N2 O7
SMILES:	IC1=CN(C(=O)NC1=O)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C10H13IN2O7/c11-3-1-13(10(19)12-8(3)18)9-7(17)6(16)5(15)4(2-14)20-9/h1,4-7,9,14-17H,2H2,(H,12,18,19)/t4-,5-,6+,7-,9-/m1/s1
別名:	1-(beta-D-glucosyl)-5-iodopyrimidine-2,4(1H,3H)-dione
定義日:	2011-08-10
最終更新日:	2020-07-17
識別子（ID）:	1-(beta-D-glucopyranosyl)-5-iodopyrimidine-2,4(1H,3H)-dione

GPW

GPW
表記:	1-(beta-D-glucopyranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
組成式:	C11 H13 F3 N2 O7
SMILES:	FC(F)(F)C1=CN(C(=O)NC1=O)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C11H13F3N2O7/c12-11(13,14)3-1-16(10(22)15-8(3)21)9-7(20)6(19)5(18)4(2-17)23-9/h1,4-7,9,17-20H,2H2,(H,15,21,22)/t4-,5-,6+,7-,9-/m1/s1
別名:	1-(beta-D-glucosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione
定義日:	2011-08-10
最終更新日:	2020-07-17
識別子（ID）:	1-(beta-D-glucopyranosyl)-5-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione

GQ1

GQ1
表記:	4-O-sulfo-alpha-D-glucopyranose
組成式:	C6 H12 O9 S
SMILES:	O=S(=O)(O)OC1C(OC(O)C(O)C1O)CO
InChi:	InChI=1S/C6H12O9S/c7-1-2-5(15-16(11,12)13)3(8)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
別名:	4-O-sulfo-alpha-D-glucose
定義日:	2014-02-21
最終更新日:	2020-07-17
公開日:	2014-10-15
識別子（ID）:	4-O-sulfo-alpha-D-glucopyranose

6S2

6S2
表記:	methyl 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranoside
組成式:	C9 H17 N O9 S
SMILES:	OC1C(OC(C(C1O)NC(C)=O)OC)COS(O)(=O)=O
InChi:	InChI=1S/C9H17NO9S/c1-4(11)10-6-8(13)7(12)5(19-9(6)17-2)3-18-20(14,15)16/h5-9,12-13H,3H2,1-2H3,(H,10,11)(H,14,15,16)/t5-,6-,7-,8-,9-/m1/s1
別名:	methyl 2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranoside
定義日:	2015-03-04
最終更新日:	2020-07-17
公開日:	2016-04-06
識別子（ID）:	methyl 2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranoside

6UD

6UD
表記:	5-acetamido-2,6-anhydro-3,5,9-trideoxy-9-triazan-1-yl-D-glycero-D-galacto-non-2-enonic acid
組成式:	C11 H20 N4 O7
SMILES:	C(C=1OC(C(C(C=1)O)NC(=O)C)C(C(O)CNNN)O)(=O)O
InChi:	InChI=1S/C11H20N4O7/c1-4(16)14-8-5(17)2-7(11(20)21)22-10(8)9(19)6(18)3-13-15-12/h2,5-6,8-10,13,15,17-19H,3,12H2,1H3,(H,14,16)(H,20,21)/t5-,6+,8+,9+,10+/m0/s1
別名:	(2~{R},3~{R},4~{S})-3-acetamido-2-[(1~{R},2~{R})-3-(2-azanylhydrazinyl)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-3,4-dihydro -2~{H}-pyran-6-carboxylic acid
定義日:	2016-06-27
最終更新日:	2020-07-17
公開日:	2017-06-28
識別子（ID）:	5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-9-triazan-1-yl-D-glycero-D-galacto-non-2-enonic acid

6Y6

6Y6
表記:	2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-D-glycero-D-galacto -non-2-enonic acid
組成式:	C17 H26 N4 O8
SMILES:	OC(=O)C2=CC(n1cc(nn1)COC)C(NC(=O)C(C)C)C(O2)C(O)C(O)CO
InChi:	InChI=1S/C17H26N4O8/c1-8(2)16(25)18-13-10(21-5-9(7-28-3)19-20-21)4-12(17(26)27)29-15(13)14(24)11(23)6-22/h4-5,8,10-11,13-15,22-24H,6-7H2,1-3H3,(H,18,25)(H,26,27)/t10-,11+,13+,14+,15+/m0/s1
別名:	(2~{R},3~{R},4~{S})-4-[4-(methoxymethyl)-1,2,3-triazol-1-yl]-3-(2-methylpropanoylamino)-2-[(1~{R},2~{R})-1,2,3-tris(oxi danyl)propyl]-3,4-dihydro-2~{H}-pyran-6-carboxylic acid
定義日:	2016-07-21
最終更新日:	2020-07-17
公開日:	2017-07-12
識別子（ID）:	2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-D-glycero-D-galacto -non-2-enonic acid

6ZC

6ZC
表記:	4-nitrophenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
組成式:	C14 H18 N2 O8
SMILES:	CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1Oc2ccc(cc2)[N+]([O-])=O
InChi:	InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14+/m1/s1
別名:	N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(4-nitrophenoxy)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
定義日:	2016-07-29
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-nitrophenoxy)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide

73E

73E
表記:	(1S)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]-D-glucitol
組成式:	C14 H17 N3 O5
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccccc3
InChi:	InChI=1S/C14H17N3O5/c18-6-8-9(19)10(20)11(21)12(22-8)14-15-13(16-17-14)7-4-2-1-3-5-7/h1-5,8-12,18-21H,6H2,(H,15,16,17)/t8-,9-,10+,11-,12-/m1/s1
別名:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol
定義日:	2016-08-19
最終更新日:	2020-07-17
公開日:	2017-06-14
識別子（ID）:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol

6DM

6DM
表記:	6-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose
組成式:	C12 H22 O11
SMILES:	C(C1C(O)C(O)C(O)C(O1)O)OC2C(C(O)C(C(O2)CO)O)O
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:	alpha 1,6 mannobiose
定義日:	2016-02-19
最終更新日:	2020-07-17
公開日:	2016-12-21
識別子（ID）:	6-O-alpha-D-mannopyranosyl-alpha-D-mannopyranose

6GB

6GB
表記:	6-O-(6-O-phosphono-beta-D-glucopyranosyl)-beta-D-glucopyranose
組成式:	C12 H23 O14 P
SMILES:	O=P(O)(O)OCC2OC(OCC1OC(O)C(O)C(O)C1O)C(O)C(O)C2O
InChi:	InChI=1S/C12H23O14P/c13-5-3(25-11(19)9(17)7(5)15)1-23-12-10(18)8(16)6(14)4(26-12)2-24-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
別名:	gentiobiose 6-phosphate
定義日:	2012-08-24
最終更新日:	2020-07-17
公開日:	2012-09-28
識別子（ID）:	6-O-(6-O-phosphono-beta-D-glucopyranosyl)-beta-D-glucopyranose

6GP

6GP
表記:	N-[methoxy(oxo)acetyl]-beta-D-glucopyranosylamine
組成式:	C9 H15 N O8
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)OC
InChi:	InChI=1S/C9H15NO8/c1-17-9(16)7(15)10-8-6(14)5(13)4(12)3(2-11)18-8/h3-6,8,11-14H,2H2,1H3,(H,10,15)/t3-,4-,5+,6-,8-/m1/s1
別名:	METHYL-N-(BETA-D-GLUCOPYRANOSYL)OXAMATE
定義日:	2006-01-25
最終更新日:	2020-07-17
識別子（ID）:	N-[methoxy(oxo)acetyl]-beta-D-glucopyranosylamine

6K3

6K3
表記:	heptyl 4-deoxy-4-fluoro-alpha-D-mannopyranoside
組成式:	C13 H25 F O5
SMILES:	CCCCCCCO[CH]1O[CH](CO)[CH](F)[CH](O)[CH]1O
InChi:	InChI=1S/C13H25FO5/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(14)9(8-15)19-13/h9-13,15-17H,2-8H2,1H3/t9-,10-,11+,12+,13+/m1/s1
別名:	4-Fluoro-Heptylmannoside
定義日:	2016-05-27
最終更新日:	2020-07-17
公開日:	2017-06-21
識別子（ID）:	(2~{S},3~{S},4~{R},5~{S},6~{R})-5-fluoranyl-2-heptoxy-6-(hydroxymethyl)oxane-3,4-diol

6KH

6KH
表記:	heptyl 3-fluoro-alpha-D-mannopyranoside
組成式:	C13 H25 F O5
SMILES:	CCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](F)[CH]1O
InChi:	InChI=1S/C13H25FO5/c1-2-3-4-5-6-7-18-13-12(17)10(14)11(16)9(8-15)19-13/h9-13,15-17H,2-8H2,1H3/t9-,10+,11-,12+,13+/m1/s1
別名:	3-Fluoro-Heptylmannoside
定義日:	2016-05-27
最終更新日:	2020-07-17
公開日:	2017-06-21
識別子（ID）:	(2~{S},3~{R},4~{S},5~{R},6~{R})-4-fluoranyl-2-heptoxy-6-(hydroxymethyl)oxane-3,5-diol

6KL

6KL
表記:	methyl 4,5-bisacetamido-3,4,5-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
組成式:	C14 H24 N2 O9
SMILES:	C(O)(C1(OC)OC(C(C(C1)NC(C)=O)NC(C)=O)C(C(CO)O)O)=O
InChi:	InChI=1S/C14H24N2O9/c1-6(18)15-8-4-14(24-3,13(22)23)25-12(10(8)16-7(2)19)11(21)9(20)5-17/h8-12,17,20-21H,4-5H2,1-3H3,(H,15,18)(H,16,19)(H,22,23)/t8-,9+,10+,11+,12+,14+/m0/s1
別名:	methyl 4,5-bis(acetylamino)-3,4,5-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
定義日:	2016-04-22
最終更新日:	2020-07-17
公開日:	2016-05-11
識別子（ID）:	methyl 4,5-bis(acetylamino)-3,4,5-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid

6KS

6KS
表記:	heptyl 2-fluoro-alpha-D-mannopyranoside
組成式:	C13 H25 F O5
SMILES:	CCCCCCCO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1F
InChi:	InChI=1S/C13H25FO5/c1-2-3-4-5-6-7-18-13-10(14)12(17)11(16)9(8-15)19-13/h9-13,15-17H,2-8H2,1H3/t9-,10+,11-,12-,13+/m1/s1
別名:	2-Fluoro-Heptylmannoside
定義日:	2016-05-27
最終更新日:	2020-07-17
公開日:	2017-06-21
識別子（ID）:	(2~{R},3~{S},4~{S},5~{S},6~{S})-5-fluoranyl-6-heptoxy-2-(hydroxymethyl)oxane-3,4-diol

6KU

6KU
表記:	heptyl 4-deoxy-4-deoxy-alpha-D-mannopyranoside
組成式:	C13 H26 O5
SMILES:	CCCCCCCO[CH]1O[CH](CO)C[CH](O)[CH]1O
InChi:	InChI=1S/C13H26O5/c1-2-3-4-5-6-7-17-13-12(16)11(15)8-10(9-14)18-13/h10-16H,2-9H2,1H3/t10-,11-,12-,13-/m0/s1
別名:	4-Deoxy-Heptylmannoside
定義日:	2016-05-27
最終更新日:	2020-07-17
公開日:	2017-06-21
識別子（ID）:	(2~{S},3~{S},4~{S},6~{S})-2-heptoxy-6-(hydroxymethyl)oxane-3,4-diol

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