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: 899 件 BIRD

9C1

9C1
表記:	2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose
組成式:	C10 H16 Cl N O6
SMILES:	C(=C/CCl)C(=O)NC1C(C(C(CO)OC1O)O)O
InChi:	InChI=1S/C10H16ClNO6/c11-3-1-2-6(14)12-7-9(16)8(15)5(4-13)18-10(7)17/h1-2,5,7-10,13,15-17H,3-4H2,(H,12,14)/b2-1+/t5-,7-,8-,9-,10-/m1/s1
別名:	2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucose
定義日:	2017-04-18
最終更新日:	2020-07-17
公開日:	2017-10-18
識別子（ID）:	2-{[(2E)-4-chlorobut-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose

9CD

9CD
表記:	2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose
組成式:	C10 H17 N O6
SMILES:	OC1C(C(OC(C1O)CO)O)NC([C@H]=CC)=O
InChi:	InChI=1S/C10H17NO6/c1-2-3-6(13)11-7-9(15)8(14)5(4-12)17-10(7)16/h2-3,5,7-10,12,14-16H,4H2,1H3,(H,11,13)/b3-2+/t5-,7-,8-,9-,10-/m1/s1
別名:	2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucose
定義日:	2017-04-18
最終更新日:	2020-07-17
公開日:	2017-10-18
識別子（ID）:	2-{[(2E)-but-2-enoyl]amino}-2-deoxy-beta-D-glucopyranose

9GP

9GP
表記:	N-(hydroxyacetyl)-beta-D-glucopyranosylamine
組成式:	C8 H15 N O7
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)CO
InChi:	InChI=1S/C8H15NO7/c10-1-3-5(13)6(14)7(15)8(16-3)9-4(12)2-11/h3,5-8,10-11,13-15H,1-2H2,(H,9,12)/t3-,5-,6+,7-,8-/m1/s1
別名:	N-(hydroxyacetyl)-beta-D-glucosylamine
定義日:	2009-02-05
最終更新日:	2020-07-17
識別子（ID）:	N-(hydroxyacetyl)-beta-D-glucopyranosylamine

9KJ

9KJ
表記:	{[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid
組成式:	C13 H26 N O12 P
SMILES:	C(C2C(OC1C(O)C(C(C(CO)O1)O)O)C(C(N2CP(=O)(O)O)CO)O)O
InChi:	InChI=1S/C13H26NO12P/c15-1-5-8(18)12(6(2-16)14(5)4-27(22,23)24)26-13-11(21)10(20)9(19)7(3-17)25-13/h5-13,15-21H,1-4H2,(H2,22,23,24)/t5-,6-,7-,8-,9-,10+,11-,12-,13-/m1/s1
別名:	{[(2R,3R,4R,5R)-3-(alpha-D-glucosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid
定義日:	2017-05-17
最終更新日:	2020-07-17
公開日:	2017-06-07
識別子（ID）:	{[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid

EEN

EEN
表記:	2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactopyranose
組成式:	C8 H13 F2 N O6
SMILES:	OC[CH]1O[CH](O)[CH](NC(=O)C(F)F)[CH](O)[CH]1O
InChi:	InChI=1S/C8H13F2NO6/c9-6(10)7(15)11-3-5(14)4(13)2(1-12)17-8(3)16/h2-6,8,12-14,16H,1H2,(H,11,15)/t2-,3-,4+,5-,8+/m1/s1
別名:	N-DIFLUOROACETYL-D-GALACTOSAMINE
定義日:	2018-03-16
最終更新日:	2020-07-17
公開日:	2019-02-20
識別子（ID）:	2,2-bis(fluoranyl)-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide

EEQ

EEQ
表記:	2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactopyranose
組成式:	C8 H14 F N O6
SMILES:	OC[CH]1O[CH](O)[CH](NC(=O)CF)[CH](O)[CH]1O
InChi:	InChI=1S/C8H14FNO6/c9-1-4(12)10-5-7(14)6(13)3(2-11)16-8(5)15/h3,5-8,11,13-15H,1-2H2,(H,10,12)/t3-,5-,6+,7-,8+/m1/s1
別名:	2-fluoranyl-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide
定義日:	2018-03-16
最終更新日:	2020-07-17
公開日:	2019-02-20
識別子（ID）:	2-fluoranyl-~{N}-[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide

EGA

EGA
表記:	ethyl beta-D-galactopyranoside
組成式:	C8 H16 O6
SMILES:	O(CC)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4-,5+,6+,7-,8-/m1/s1
別名:	ethyl beta-D-galactoside
定義日:	2014-05-22
最終更新日:	2020-07-17
公開日:	2014-06-18
識別子（ID）:	ethyl beta-D-galactopyranoside

EMP

EMP
表記:	2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentopyranose
組成式:	C8 H17 N O3
SMILES:	O(C)C1C(NCC)COC(O)C1
InChi:	InChI=1S/C8H17NO3/c1-3-9-6-5-12-8(10)4-7(6)11-2/h6-10H,3-5H2,1-2H3/t6-,7-,8+/m0/s1
別名:	2,4-DIDEOXY-4-(ETHYLAMINO)-3-O-METHYL ALPHA-L-THREO-PENTOPYRANOSIDE
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentopyranose

EMZ

EMZ
表記:	6-O-methyl-beta-D-galactopyranose
組成式:	C7 H14 O6
SMILES:	COC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C7H14O6/c1-12-2-3-4(8)5(9)6(10)7(11)13-3/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1
別名:	6-O-Methyl-D-galactopyranose
定義日:	2018-04-02
最終更新日:	2020-07-17
公開日:	2018-11-21
識別子（ID）:	(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(methoxymethyl)oxane-2,3,4,5-tetrol

EPG

EPG
表記:	(2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside
組成式:	C9 H16 O7
SMILES:	O(CC1OC1)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C9H16O7/c10-1-5-6(11)7(12)8(13)9(16-5)15-3-4-2-14-4/h4-13H,1-3H2/t4-,5-,6-,7+,8-,9+/m1/s1
別名:	2-HYDROXYMETHYL-6-OXIRANYLMETHOXY-TETRAHYDRO-PYRAN-3,4,5-TRIOL
定義日:	2002-11-28
最終更新日:	2020-07-17
識別子（ID）:	(2R)-oxiran-2-ylmethyl alpha-D-glucopyranoside

EQP

EQP
表記:	(1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol
組成式:	C10 H20 N O9 P
SMILES:	O=P(O)(O)C1OC(C(NC(=O)C)C(O)C1)C(O)C(O)CO
InChi:	InChI=1S/C10H20NO9P/c1-4(13)11-8-5(14)2-7(21(17,18)19)20-10(8)9(16)6(15)3-12/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)(H2,17,18,19)/t5-,6+,7+,8+,9+,10+/m0/s1
別名:	(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	(1R)-4-(acetylamino)-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol

EQV

EQV
表記:	Loganic acid
組成式:	C16 H24 O10
SMILES:	CC1C(CC2C(=COC(C12)OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)O
InChi:	InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1
別名:	(1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxyl ic acid
定義日:	2018-01-29
最終更新日:	2020-07-17
公開日:	2018-02-07
識別子（ID）:	(1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxyl ic acid

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

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

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

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

56N

56N
表記:	phenyl beta-D-galactopyranoside
組成式:	C12 H16 O6
SMILES:	OC1C(OC(C(O)C1O)CO)Oc2ccccc2
InChi:	InChI=1S/C12H16O6/c13-6-8-9(14)10(15)11(16)12(18-8)17-7-4-2-1-3-5-7/h1-5,8-16H,6H2/t8-,9+,10+,11-,12-/m1/s1
別名:	phenyl beta-D-galactoside
定義日:	2015-08-05
最終更新日:	2020-07-17
公開日:	2015-11-25
識別子（ID）:	phenyl beta-D-galactopyranoside

22O

22O
表記:	N-({(2E)-2-[(3-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:	C14 H18 Br N3 O5 S
SMILES:	S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2cccc(Br)c2
InChi:	InChI=1S/C14H18BrN3O5S/c15-8-3-1-2-7(4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1
別名:	3-bromobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
定義日:	2010-05-03
最終更新日:	2020-07-17
識別子（ID）:	N-{[(2E)-2-(3-bromobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine

22S

22S
表記:	N-({(2E)-2-[(2-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:	C14 H18 Cl N3 O5 S
SMILES:	S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccccc2Cl
InChi:	InChI=1S/C14H18ClN3O5S/c15-8-4-2-1-3-7(8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1
別名:	2-chlorobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
定義日:	2010-04-30
最終更新日:	2020-07-17
識別子（ID）:	N-{[(2E)-2-(2-chlorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine

23V

23V
表記:	N-({(2E)-2-[(3-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:	C14 H18 Cl N3 O5 S
SMILES:	S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2cccc(Cl)c2
InChi:	InChI=1S/C14H18ClN3O5S/c15-8-3-1-2-7(4-8)5-16-18-14(24)17-13-12(22)11(21)10(20)9(6-19)23-13/h1-5,9-13,19-22H,6H2,(H2,17,18,24)/b16-5+/t9-,10-,11+,12-,13-/m1/s1
別名:	3-chlorobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
定義日:	2010-05-03
最終更新日:	2020-07-17
識別子（ID）:	N-{[(2E)-2-(3-chlorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine

24S

24S
表記:	N-({(2Z)-2-[(2-nitrophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:	C14 H18 N4 O7 S
SMILES:	S=C(NC1OC(C(O)C(O)C1O)CO)N/N=Cc2ccccc2[N+]([O-])=O
InChi:	InChI=1S/C14H18N4O7S/c19-6-9-10(20)11(21)12(22)13(25-9)16-14(26)17-15-5-7-3-1-2-4-8(7)18(23)24/h1-5,9-13,19-22H,6H2,(H2,16,17,26)/b15-5-/t9-,10-,11+,12-,13-/m1/s1
別名:	2-nitrobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
定義日:	2010-05-03
最終更新日:	2020-07-17
識別子（ID）:	N-{[(2Z)-2-(2-nitrobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine

25E

25E
表記:	N-({(2Z)-2-[(4-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:	C14 H19 N3 O6 S
SMILES:	S=C(NC1OC(C(O)C(O)C1O)CO)N/N=Cc2ccc(O)cc2
InChi:	InChI=1S/C14H19N3O6S/c18-6-9-10(20)11(21)12(22)13(23-9)16-14(24)17-15-5-7-1-3-8(19)4-2-7/h1-5,9-13,18-22H,6H2,(H2,16,17,24)/b15-5-/t9-,10-,11+,12-,13-/m1/s1
別名:	4-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
定義日:	2010-05-03
最終更新日:	2020-07-17
識別子（ID）:	N-{[(2Z)-2-(4-hydroxybenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine

26O

26O
表記:	N-({(2E)-2-[(2-hydroxyphenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:	C14 H19 N3 O6 S
SMILES:	S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccccc2O
InChi:	InChI=1S/C14H19N3O6S/c18-6-9-10(20)11(21)12(22)13(23-9)16-14(24)17-15-5-7-3-1-2-4-8(7)19/h1-5,9-13,18-22H,6H2,(H2,16,17,24)/b15-5+/t9-,10-,11+,12-,13-/m1/s1
別名:	2-hydroxybenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
定義日:	2010-06-07
最終更新日:	2020-07-17
識別子（ID）:	N-{[(2E)-2-(2-hydroxybenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine

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件を2024-08-07に公開中

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