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: 901 件 BIRD

XYL

XYL
表記:	Xylitol
組成式:	C5 H12 O5
SMILES:	OC(CO)C(O)C(O)CO
InChi:	InChI=1S/C5H12O5/c6-1-3(8)5(10)4(9)2-7/h3-10H,1-2H2/t3-,4+,5+
別名:	D-Xylitol
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	D-xylitol

XYP

XYP
表記:	beta-D-xylopyranose
組成式:	C5 H10 O5
SMILES:	OC1C(O)COC(O)C1O
InChi:	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
別名:	beta-D-xylose
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	beta-D-xylopyranose

XYS

XYS
表記:	alpha-D-xylopyranose
組成式:	C5 H10 O5
SMILES:	OC1C(O)COC(O)C1O
InChi:	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3+,4-,5+/m1/s1
別名:	alpha-D-xylose
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	alpha-D-xylopyranose

X1X

X1X
表記:	alpha-D-talopyranuronic acid
組成式:	C6 H10 O7
SMILES:	O=C(O)C1OC(O)C(O)C(O)C1O
InChi:	InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2+,3-,4-,6-/m0/s1
別名:	alpha-D-taluronic acid
定義日:	2013-12-15
最終更新日:	2020-07-17
公開日:	2014-01-22
識別子（ID）:	alpha-D-talopyranuronic acid

XYZ

XYZ
表記:	beta-D-xylofuranose
組成式:	C5 H10 O5
SMILES:	OC1C(OC(O)C1O)CO
InChi:	InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3+,4-,5-/m1/s1
別名:	beta-D-xylose
定義日:	2004-06-10
最終更新日:	2020-07-17
識別子（ID）:	beta-D-xylofuranose

X2F

X2F
表記:	2-deoxy-2-fluoro-alpha-D-xylopyranose
組成式:	C5 H9 F O4
SMILES:	FC1C(O)C(O)COC1O
InChi:	InChI=1S/C5H9FO4/c6-3-4(8)2(7)1-10-5(3)9/h2-5,7-9H,1H2/t2-,3-,4+,5+/m1/s1
別名:	2-DEOXY-2-FLUORO XYLOPYRANOSE
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	2-deoxy-2-fluoro-alpha-D-xylopyranose

KO1

KO1
表記:	D-glycero-alpha-D-talo-oct-2-ulopyranosonic acid
組成式:	C8 H14 O9
SMILES:	O=C(O)C1(O)OC(C(O)CO)C(O)C(O)C1O
InChi:	InChI=1S/C8H14O9/c9-1-2(10)5-3(11)4(12)6(13)8(16,17-5)7(14)15/h2-6,9-13,16H,1H2,(H,14,15)/t2-,3-,4+,5-,6+,8-/m1/s1
別名:	D-glycero-alpha-D-talo-oct-2-ulosonic acid
定義日:	2008-01-15
最終更新日:	2020-07-17
識別子（ID）:	D-glycero-alpha-D-talo-oct-2-ulopyranosonic acid

KO2

KO2
表記:	prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulopyranosidonic acid
組成式:	C11 H18 O9
SMILES:	O=C(O)C1(OCC=C)OC(C(O)CO)C(O)C(O)C1O
InChi:	InChI=1S/C11H18O9/c1-2-3-19-11(10(17)18)9(16)7(15)6(14)8(20-11)5(13)4-12/h2,5-9,12-16H,1,3-4H2,(H,17,18)/t5-,6-,7+,8-,9+,11-/m1/s1
別名:	prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulosidonic acid
定義日:	2008-01-18
最終更新日:	2020-07-17
識別子（ID）:	prop-2-en-1-yl D-glycero-alpha-D-talo-oct-2-ulopyranosidonic acid

XIL

XIL
表記:	(3S,4R)-3-hydroxy-2-oxopiperidin-4-yl beta-D-xylopyranoside
組成式:	C10 H17 N O7
SMILES:	O=C2NCCC(OC1OCC(O)C(O)C1O)C2O
InChi:	InChI=1S/C10H17NO7/c12-4-3-17-10(8(15)6(4)13)18-5-1-2-11-9(16)7(5)14/h4-8,10,12-15H,1-3H2,(H,11,16)/t4-,5-,6+,7+,8-,10+/m1/s1
別名:	3-HYDROXY-4-(3,4,5-TRIHYDROXY-TETRAHYDRO-PYRAN-2-YLOXY)-PIPERIDIN-2-ONE
定義日:	2002-10-28
最終更新日:	2020-07-17
識別子（ID）:	(3S,4R)-3-hydroxy-2-oxopiperidin-4-yl beta-D-xylopyranoside

YX0

YX0
表記:	[(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl alpha-L-fucopyranoside
組成式:	C12 H19 N O7
SMILES:	O(CC=1ONC(=C(O)C)C=1)C2OC(C(O)C(O)C2O)C
InChi:	InChI=1S/C12H19NO7/c1-5(14)8-3-7(20-13-8)4-18-12-11(17)10(16)9(15)6(2)19-12/h3,6,9-17H,4H2,1-2H3/b8-5+/t6-,9+,10+,11-,12+/m0/s1
別名:	[(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl 6-deoxy-alpha-L-galactopyranoside
定義日:	2008-05-22
最終更新日:	2020-07-17
識別子（ID）:	[(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl 6-deoxy-alpha-L-galactopyranoside

YX1

YX1
表記:	2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucopyranose
組成式:	C8 H17 N3 O7
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)N(NO)C
InChi:	InChI=1S/C8H17N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,10,12-15,17H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7-/m1/s1
別名:	2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucose
定義日:	2008-05-29
最終更新日:	2020-07-17
識別子（ID）:	2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucopyranose

KOT

KOT
表記:	1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole
組成式:	C14 H17 N3 O5
SMILES:	n1nn(cc1c2ccccc2)C3OC(C(O)C(O)C3O)CO
InChi:	InChI=1S/C14H17N3O5/c18-7-10-11(19)12(20)13(21)14(22-10)17-6-9(15-16-17)8-4-2-1-3-5-8/h1-6,10-14,18-21H,7H2/t10-,11-,12+,13-,14-/m1/s1
別名:	1-beta-D-glucosyl-4-phenyl-1H-1,2,3-triazole
定義日:	2009-02-05
最終更新日:	2020-07-17
識別子（ID）:	1-beta-D-glucopyranosyl-4-phenyl-1H-1,2,3-triazole

JFZ

JFZ
表記:	4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside
組成式:	C12 H15 N O7
SMILES:	C[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12-/m0/s1
別名:	4-nitrophenyl-alpha-L-fucose
定義日:	2019-02-19
最終更新日:	2020-07-17
公開日:	2019-02-27
識別子（ID）:	(2~{S},3~{S},4~{R},5~{S},6~{S})-2-methyl-6-(4-nitrophenoxy)oxane-3,4,5-triol

U1Y

U1Y
表記:	methyl 6-thio-beta-D-glucopyranoside
組成式:	C7 H14 O5 S
SMILES:	SCC1OC(C(C(C1O)O)O)OC
InChi:	InChI=1S/C7H14O5S/c1-11-7-6(10)5(9)4(8)3(2-13)12-7/h3-10,13H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
定義日:	2020-04-08
最終更新日:	2020-07-17
公開日:	2020-07-29
識別子（ID）:	methyl 6-thio-beta-D-glucopyranoside

YYB

YYB
表記:	1,5-anhydro-3-O-methyl-2,6-di-O-sulfo-D-glucitol
組成式:	C7 H14 O11 S2
SMILES:	O=S(=O)(O)OCC1OCC(OS(=O)(=O)O)C(OC)C1O
InChi:	InChI=1S/C7H14O11S2/c1-15-7-5(18-20(12,13)14)2-16-4(6(7)8)3-17-19(9,10)11/h4-8H,2-3H2,1H3,(H,9,10,11)(H,12,13,14)/t4-,5+,6-,7-/m1/s1
定義日:	2012-12-18
最終更新日:	2020-07-17
公開日:	2020-07-29
識別子（ID）:	1,5-anhydro-3-O-methyl-2,6-di-O-sulfo-D-glucitol

YIO

YIO
表記:	1-thio-beta-D-galactopyranose
組成式:	C6 H12 O5 S
SMILES:	OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3+,4+,5-,6+/m1/s1
別名:	(2R,3R,4S,5R,6S)-2-(HYDROXYMETHYL)-6-SULFANYL-OXANE-3,4,5-TRIOL
定義日:	2011-05-16
最終更新日:	2020-07-17
識別子（ID）:	(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol

YYH

YYH
表記:	7-deoxy-L-glycero-alpha-D-manno-heptopyranose
組成式:	C7 H14 O6
SMILES:	OC1C(O)C(OC(O)C1O)C(O)C
InChi:	InChI=1S/C7H14O6/c1-2(8)6-4(10)3(9)5(11)7(12)13-6/h2-12H,1H3/t2-,3-,4-,5-,6+,7-/m0/s1
定義日:	2012-12-17
最終更新日:	2020-07-17
公開日:	2020-07-29
識別子（ID）:	7-deoxy-L-glycero-alpha-D-manno-heptopyranose

YYJ

YYJ
表記:	1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose
組成式:	C6 H12 O18 S4
SMILES:	O=S(=O)(O)OCC1OC(O)(COS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O
InChi:	InChI=1S/C6H12O18S4/c7-6(2-21-26(11,12)13)5(24-28(17,18)19)4(23-27(14,15)16)3(22-6)1-20-25(8,9)10/h3-5,7H,1-2H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t3-,4-,5+,6-/m1/s1
定義日:	2012-12-17
最終更新日:	2020-07-17
公開日:	2020-07-29
識別子（ID）:	1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose

U2A

U2A
表記:	methyl 2-thio-beta-D-glucopyranoside
組成式:	C7 H14 O5 S
SMILES:	SC1C(O)C(O)C(OC1OC)CO
InChi:	InChI=1S/C7H14O5S/c1-11-7-6(13)5(10)4(9)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
定義日:	2020-04-08
最終更新日:	2020-07-17
公開日:	2020-07-29
識別子（ID）:	methyl 2-thio-beta-D-glucopyranoside

YYK

YYK
表記:	beta-D-quinovopyranose
組成式:	C6 H12 O5
SMILES:	OC1C(O)C(OC(O)C1O)C
InChi:	InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6-/m1/s1
別名:	beta-D-quinovoose
定義日:	2012-12-18
最終更新日:	2020-07-17
公開日:	2020-07-29
識別子（ID）:	6-deoxy-beta-D-glucopyranose

YYM

YYM
表記:	alpha-D-ribopyranose
組成式:	C5 H10 O5
SMILES:	OC1C(O)COC(O)C1O
InChi:	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5+/m1/s1
別名:	alpha-D-ribose
定義日:	2012-12-17
最終更新日:	2020-07-17
公開日:	2020-07-29
識別子（ID）:	alpha-D-ribopyranose

U2D

U2D
表記:	6-O-decanoyl-alpha-D-glucopyranose
組成式:	C16 H30 O7
SMILES:	C1(C(C(O)C(C(O1)COC(CCCCCCCCC)=O)O)O)O
InChi:	InChI=1S/C16H30O7/c1-2-3-4-5-6-7-8-9-12(17)22-10-11-13(18)14(19)15(20)16(21)23-11/h11,13-16,18-21H,2-10H2,1H3/t11-,13-,14+,15-,16+/m1/s1
定義日:	2020-04-09
最終更新日:	2020-07-17
公開日:	2020-07-29
識別子（ID）:	6-O-decanoyl-alpha-D-glucopyranose

YZ0

YZ0
表記:	methyl beta-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
定義日:	2012-12-18
最終更新日:	2020-07-17
公開日:	2020-07-29
識別子（ID）:	methyl beta-D-mannopyranoside

Z0F

Z0F
表記:	alpha-L-idopyranose
組成式:	C6 H12 O6
SMILES:	OC1C(O)C(OC(O)C1O)CO
InChi:	InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4-,5+,6+/m0/s1
別名:	alpha-L-idose
定義日:	2012-12-18
最終更新日:	2020-07-17
公開日:	2020-07-29
識別子（ID）:	alpha-L-idopyranose

Z15

Z15
表記:	(1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol
組成式:	C12 H15 Cl O7
SMILES:	Clc1c(O)cc(c(O)c1)C2OC(CO)C(O)C(O)C2O
InChi:	InChI=1S/C12H15ClO7/c13-5-2-6(15)4(1-7(5)16)12-11(19)10(18)9(17)8(3-14)20-12/h1-2,8-12,14-19H,3H2/t8-,9-,10+,11-,12+/m1/s1
定義日:	2010-07-01
最終更新日:	2020-07-17
識別子（ID）:	(1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol

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