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: 908 件 BIRD

44S

44S
表記:	2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose
組成式:	C6 H13 O8 P
SMILES:	O=P(O)(O)OCC(O)C1OC(O)CC1O
InChi:	InChI=1S/C6H13O8P/c7-3-1-5(9)14-6(3)4(8)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6-/m1/s1
別名:	tagatose-6-phosphate, bound form
定義日:	2015-02-11
最終更新日:	2024-09-27
公開日:	2016-01-20
識別子（ID）:	2-deoxy-6-O-phosphono-beta-D-lyxo-hexofuranose

TDD

TDD
表記:	(2R)-2-amino-3,3-dimethyl-butanoic acid
組成式:	C6 H13 N O2
SMILES:	O=C(O)C(N)C(C)(C)C
InChi:	InChI=1S/C6H13NO2/c1-6(2,3)4(7)5(8)9/h4H,7H2,1-3H3,(H,8,9)/t4-/m0/s1
別名:	D-tert-leucine
定義日:	2008-06-02
最終更新日:	2024-09-27
識別子（ID）:	3-methyl-D-valine

TDF

TDF
表記:	4-(trifluoromethyl)-D-phenylalanine
組成式:	C10 H10 F3 N O2
SMILES:	FC(F)(F)c1ccc(cc1)CC(C(=O)O)N
InChi:	InChI=1S/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)5-8(14)9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1
定義日:	2011-09-15
最終更新日:	2024-09-27
識別子（ID）:	4-(trifluoromethyl)-D-phenylalanine

46Z

46Z
表記:	(2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate
組成式:	C12 H16 F O7 P
SMILES:	O=P(O)(OC1OC(O)C(F)C1O)OCCc2ccccc2
InChi:	InChI=1S/C12H16FO7P/c13-9-10(14)12(19-11(9)15)20-21(16,17)18-7-6-8-4-2-1-3-5-8/h1-5,9-12,14-15H,6-7H2,(H,16,17)/t9-,10-,11-,12+/m0/s1
別名:	Inhibitor CZ-46 based on arabinosyl-2-fluoro-2-deoxynicotinamide mononucleotide, bound form
定義日:	2011-05-12
最終更新日:	2024-09-27
識別子（ID）:	(2R,3R,4S,5S)-4-fluoro-3,5-dihydroxytetrahydrofuran-2-yl 2-phenylethyl hydrogen (S)-phosphate

TGA

TGA
表記:	2-sulfanylethyl beta-D-galactopyranoside
組成式:	C8 H16 O6 S
SMILES:	OC[CH]1O[CH](OCCS)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C8H16O6S/c9-3-4-5(10)6(11)7(12)8(14-4)13-1-2-15/h4-12,15H,1-3H2/t4-,5+,6+,7-,8-/m1/s1
別名:	METHANETHIOSULFONYL-GALACTOSIDE
定義日:	2011-01-19
最終更新日:	2024-09-27
識別子（ID）:	(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(2-sulfanylethoxy)oxane-3,4,5-triol

5GF

5GF
表記:	5-fluoro-beta-D-glucopyranose
組成式:	C6 H11 F O6
SMILES:	FC1(OC(O)C(O)C(O)C1O)CO
InChi:	InChI=1S/C6H11FO6/c7-6(1-8)4(11)2(9)3(10)5(12)13-6/h2-5,8-12H,1H2/t2-,3-,4+,5-,6-/m1/s1
別名:	5-fluoro-beta-D-glucose
定義日:	2012-09-09
最終更新日:	2024-09-27
公開日:	2012-11-09
識別子（ID）:	(2R,3R,4R,5S,6S)-6-fluoro-6-(hydroxymethyl)tetrahydro-2H-pyran-2,3,4,5-tetrol (non-preferred name)

0XY

0XY
表記:	5-fluoro-N-acetyl-alpha-D-glucosamine
組成式:	C8 H14 F N O6
SMILES:	FC1(OC(O)C(NC(=O)C)C(O)C1O)CO
InChi:	InChI=1S/C8H14FNO6/c1-3(12)10-4-5(13)6(14)8(9,2-11)16-7(4)15/h4-7,11,13-15H,2H2,1H3,(H,10,12)/t4-,5-,6+,7?,8-/m1/s1
別名:	N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide
定義日:	2012-09-05
最終更新日:	2024-09-27
公開日:	2012-12-14
識別子（ID）:	N-[(2S,3R,4R,5S,6S)-6-fluoro-2,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)

0YT

0YT
表記:	2-acetamido-2-deoxy-5-thio-beta-D-glucopyranose
組成式:	C8 H15 N O5 S
SMILES:	O=C(NC1C(O)C(O)C(SC1O)CO)C
InChi:	InChI=1S/C8H15NO5S/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-/m1/s1
別名:	2-(acetylamino)-2-deoxy-5-thio-beta-D-glucopyranose
定義日:	2012-09-18
最終更新日:	2024-09-27
公開日:	2012-10-26
識別子（ID）:	2-(acetylamino)-2-deoxy-5-thio-beta-D-glucopyranose

9S7

9S7
表記:	5-acetamido-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
組成式:	C11 H18 F N O7
SMILES:	O=C(O)C1C(F)C(C(C(O1)C(O)CCO)NC(=O)C)O
InChi:	InChI=1S/C11H18FNO7/c1-4(15)13-7-8(17)6(12)10(11(18)19)20-9(7)5(16)2-3-14/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7-,8+,9+,10+/m1/s1
別名:	5-(acetylamino)-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
定義日:	2017-06-07
最終更新日:	2024-09-27
公開日:	2018-02-21
識別子（ID）:	5-(acetylamino)-2,6-anhydro-3,5,8-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid

9SJ

9SJ
表記:	5-acetamido-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
組成式:	C11 H18 F N O7
SMILES:	O=C(C)NC1C(O)C(F)C(OC1CC(CO)O)C(=O)O
InChi:	InChI=1S/C11H18FNO7/c1-4(15)13-8-6(2-5(16)3-14)20-10(11(18)19)7(12)9(8)17/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7+,8-,9-,10-/m0/s1
別名:	5-(acetylamino)-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid
定義日:	2017-06-07
最終更新日:	2024-09-27
公開日:	2018-02-21
識別子（ID）:	5-(acetylamino)-2,6-anhydro-3,5,7-trideoxy-3-fluoro-D-threo-L-galacto-nononic acid

9T1

9T1
表記:	5-acetamido-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid
組成式:	C11 H16 F N O7
SMILES:	O=C(C)NC1C(=O)C(F)C(OC1C(C(C)O)O)C(=O)O
InChi:	InChI=1S/C11H16FNO7/c1-3(14)7(16)10-6(13-4(2)15)8(17)5(12)9(20-10)11(18)19/h3,5-7,9-10,14,16H,1-2H3,(H,13,15)(H,18,19)/t3-,5-,6-,7-,9+,10-/m1/s1
別名:	5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid
定義日:	2017-06-07
最終更新日:	2024-09-27
公開日:	2018-02-21
識別子（ID）:	5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-3-fluoro-D-erythro-L-gluco-non-4-ulosonic acid

NAG

NAG
表記:	2-acetamido-2-deoxy-beta-D-glucopyranose
組成式:	C8 H15 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)C
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-/m1/s1
別名:	N-acetyl-beta-D-glucosamine
定義日:	1999-07-08
最終更新日:	2024-09-27
識別子（ID）:	2-(acetylamino)-2-deoxy-beta-D-glucopyranose

NBG

NBG
表記:	N-acetyl-beta-D-glucopyranosylamine
組成式:	C8 H15 N O6
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)C
InChi:	InChI=1S/C8H15NO6/c1-3(11)9-8-7(14)6(13)5(12)4(2-10)15-8/h4-8,10,12-14H,2H2,1H3,(H,9,11)/t4-,5-,6+,7-,8-/m1/s1
別名:	1-N-ACETYL-BETA-D-GLUCOSAMINE
定義日:	1999-07-08
最終更新日:	2024-09-27
識別子（ID）:	N-acetyl-beta-D-glucopyranosylamine

NDG

NDG
表記:	2-acetamido-2-deoxy-alpha-D-glucopyranose
組成式:	C8 H15 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)C
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+/m1/s1
別名:	N-acetyl-alpha-D-glucosamine
定義日:	2002-07-02
最終更新日:	2024-09-27
識別子（ID）:	2-(acetylamino)-2-deoxy-alpha-D-glucopyranose

NGA

NGA
表記:	2-acetamido-2-deoxy-beta-D-galactopyranose
組成式:	C8 H15 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)C
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-/m1/s1
別名:	N-acetyl-beta-D-galactosamine
定義日:	1999-07-08
最終更新日:	2024-09-27
識別子（ID）:	2-(acetylamino)-2-deoxy-beta-D-galactopyranose

9VP

9VP
表記:	5-acetamido-2,6-anhydro-3,4,5-trideoxy-3-fluoro-D-erythro-L-gluco-nononic acid
組成式:	C11 H18 F N O7
SMILES:	OC(=O)C1C(F)CC(C(O1)C(O)C(CO)O)NC(=O)C
InChi:	InChI=1S/C11H18FNO7/c1-4(15)13-6-2-5(12)9(11(18)19)20-10(6)8(17)7(16)3-14/h5-10,14,16-17H,2-3H2,1H3,(H,13,15)(H,18,19)/t5-,6-,7-,8-,9+,10-/m1/s1
別名:	5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-3-fluoro-D-erythro-L-gluco-nononic acid
定義日:	2017-06-15
最終更新日:	2024-09-27
公開日:	2018-02-21
識別子（ID）:	5-(acetylamino)-2,6-anhydro-3,4,5-trideoxy-3-fluoro-D-erythro-L-gluco-nononic acid

A2G

A2G
表記:	2-acetamido-2-deoxy-alpha-D-galactopyranose
組成式:	C8 H15 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)C
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+/m1/s1
別名:	N-acetyl-alpha-D-galactosamine
定義日:	1999-07-08
最終更新日:	2024-09-27
識別子（ID）:	2-(acetylamino)-2-deoxy-alpha-D-galactopyranose

J5B

J5B
表記:	(3R)-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+/m1/s1
別名:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{R})-3-oxidanylbutoxy]oxane-3,4,5-triol
定義日:	2019-01-26
最終更新日:	2024-09-27
公開日:	2019-02-06
識別子（ID）:	(2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(3~{R})-3-oxidanylbutoxy]oxane-3,4,5-triol

3HD

3HD
表記:	1,5-anhydro-3-O-methyl-D-mannitol
組成式:	C7 H14 O5
SMILES:	O(C)C1C(O)C(OCC1O)CO
InChi:	InChI=1S/C7H14O5/c1-11-7-4(9)3-12-5(2-8)6(7)10/h4-10H,2-3H2,1H3/t4-,5-,6-,7-/m1/s1
別名:	3-O-METHYL-O-ALPHA-D-MANNOPYRANOSYL
定義日:	2006-06-30
最終更新日:	2024-09-27
識別子（ID）:	1,5-anhydro-3-O-methyl-D-mannitol

V3M

V3M
表記:	2-deoxy-2-fluoro-alpha-D-arabinofuranose
組成式:	C5 H9 F O4
SMILES:	OC1OC(CO)C(C1F)O
InChi:	InChI=1S/C5H9FO4/c6-3-4(8)2(1-7)10-5(3)9/h2-5,7-9H,1H2/t2-,3+,4-,5+/m1/s1
定義日:	2020-06-20
最終更新日:	2024-09-27
公開日:	2020-07-01
識別子（ID）:	2-deoxy-2-fluoro-alpha-D-arabinofuranose

8B9

8B9
表記:	2-acetamido-2,4-dideoxy-alpha-D-xylo-hexopyranose
組成式:	C8 H15 N O5
SMILES:	CC(=O)N[CH]1[CH](O)C[CH](CO)O[CH]1O
InChi:	InChI=1S/C8H15NO5/c1-4(11)9-7-6(12)2-5(3-10)14-8(7)13/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/t5-,6-,7+,8-/m0/s1
別名:	N-[(2S,3R,4S,6S)-6-(hydroxymethyl)-2,4-bis(oxidanyl)oxan-3-yl]ethanamide
定義日:	2017-06-02
最終更新日:	2024-09-27
公開日:	2017-10-25
識別子（ID）:	~{N}-[(2~{S},3~{R},4~{S},6~{S})-6-(hydroxymethyl)-2,4-bis(oxidanyl)oxan-3-yl]ethanamide

LXB

LXB
表記:	2-acetamido-2-deoxy-beta-D-gulopyranose
組成式:	C8 H15 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)C
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-/m1/s1
別名:	N-acetyl-beta-D-gulosamine
定義日:	2008-07-23
最終更新日:	2024-09-27
識別子（ID）:	2-(acetylamino)-2-deoxy-beta-D-gulopyranose

LXZ

LXZ
表記:	2-acetamido-2-deoxy-alpha-D-idopyranose
組成式:	C8 H15 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)C
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+/m1/s1
別名:	N-acetyl-alpha-D-idosamine
定義日:	2008-07-09
最終更新日:	2024-09-27
識別子（ID）:	2-(acetylamino)-2-deoxy-alpha-D-idopyranose

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:	2024-09-27
公開日:	2015-04-22
識別子（ID）:	2-hydroxyethyl alpha-D-mannopyranoside

MAF

MAF
表記:	2-deoxy-2-fluoro-alpha-D-mannopyranose
組成式:	C6 H11 F O5
SMILES:	FC1C(O)C(O)C(OC1O)CO
InChi:	InChI=1S/C6H11FO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1H2/t2-,3+,4-,5-,6-/m1/s1
別名:	2-DEOXY-2-FLUORO-ALPHA-D-MANNOSE
定義日:	2002-02-28
最終更新日:	2024-09-27
識別子（ID）:	2-deoxy-2-fluoro-alpha-D-mannopyranose

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