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: 35294 件 BIRD

TWY

TWY
表記:	4-thio-beta-D-xylopyranose
組成式:	C5 H10 O4 S
SMILES:	SC1C(C(C(OC1)O)O)O
InChi:	InChI=1S/C5H10O4S/c6-3-2(10)1-9-5(8)4(3)7/h2-8,10H,1H2/t2-,3+,4-,5-/m1/s1
定義日:	2020-04-02
最終更新日:	2020-07-17
公開日:	2020-07-29
識別子（ID）:	4-thio-beta-D-xylopyranose

XDX

XDX
表記:	(2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid
組成式:	C9 H17 O12 P
SMILES:	OP(O)(=O)OCC(C(O)=O)OC1C(C(C(C(O1)CO)O)O)O
InChi:	InChI=1S/C9H17O12P/c10-1-3-5(11)6(12)7(13)9(20-3)21-4(8(14)15)2-19-22(16,17)18/h3-7,9-13H,1-2H2,(H,14,15)(H2,16,17,18)/t3-,4-,5-,6+,7-,9-/m1/s1
別名:	(2R)-2-(alpha-D-glucosyloxy)-3-(phosphonooxy)propanoic acid
定義日:	2016-05-10
最終更新日:	2020-07-17
公開日:	2017-05-24
識別子（ID）:	(2R)-2-(alpha-D-glucopyranosyloxy)-3-(phosphonooxy)propanoic acid

SOV

SOV
表記:	5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile
組成式:	C12 H8 N2 O2
SMILES:	Cc1ccc(cc1C#N)N2C(=O)C=CC2=O
InChi:	InChI=1S/C12H8N2O2/c1-8-2-3-10(6-9(8)7-13)14-11(15)4-5-12(14)16/h2-6H,1H3
定義日:	2020-03-11
最終更新日:	2020-07-17
公開日:	2020-07-22
識別子（ID）:	5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile

XVR

XVR
表記:	(5S)-5-[(6R)-6-hydroxy-6-methyl-5-oxooctyl]furan-2(5H)-one
組成式:	C13 H20 O4
SMILES:	O=C(CCCCC1OC(C=C1)=O)C(CC)(C)O
InChi:	InChI=1S/C13H20O4/c1-3-13(2,16)11(14)7-5-4-6-10-8-9-12(15)17-10/h8-10,16H,3-7H2,1-2H3/t10-,13+/m0/s1
定義日:	2020-04-29
最終更新日:	2020-07-17
公開日:	2020-07-22
識別子（ID）:	(5S)-5-[(6R)-6-hydroxy-6-methyl-5-oxooctyl]furan-2(5H)-one

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:	2020-07-17
識別子（ID）:	2-(acetylamino)-2-deoxy-alpha-D-glucopyranose

GRX

GRX
表記:	(1R)-1,5-anhydro-1-[(S)-fluoro(phosphono)methyl]-D-glucitol
組成式:	C7 H14 F O8 P
SMILES:	O=P(O)(O)C(F)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C7H14FO8P/c8-7(17(13,14)15)6-5(12)4(11)3(10)2(1-9)16-6/h2-7,9-12H,1H2,(H2,13,14,15)/t2-,3-,4+,5-,6-,7+/m1/s1
別名:	(S)-1-beta-phosphonofluoromethylene-1-deoxy-D-glucopyranose
定義日:	2013-09-09
最終更新日:	2020-07-17
公開日:	2014-07-16
識別子（ID）:	(1R)-1,5-anhydro-1-[(S)-fluoro(phosphono)methyl]-D-glucitol

RUU

RUU
表記:	alpha-L-ribulofuranose
組成式:	C5 H10 O5
SMILES:	OCC1(O)OCC(O)C1O
InChi:	InChI=1S/C5H10O5/c6-2-5(9)4(8)3(7)1-10-5/h3-4,6-9H,1-2H2/t3-,4-,5+/m0/s1
別名:	alpha-L-ribulose
定義日:	2013-12-05
最終更新日:	2020-07-17
公開日:	2014-05-28
識別子（ID）:	alpha-L-ribulofuranose

YDR

YDR
表記:	6-S-alpha-D-mannopyranosyl-6-thio-alpha-D-mannopyranose
組成式:	C12 H22 O10 S
SMILES:	S(CC1OC(O)C(O)C(O)C1O)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C12H22O10S/c13-1-3-5(14)8(17)10(19)12(22-3)23-2-4-6(15)7(16)9(18)11(20)21-4/h3-20H,1-2H2/t3-,4-,5-,6-,7+,8+,9+,10+,11+,12-/m1/s1
定義日:	2011-02-24
最終更新日:	2020-07-17
識別子（ID）:	6-S-alpha-D-mannopyranosyl-6-thio-alpha-D-mannopyranose

GS1

GS1
表記:	1-thio-beta-D-glucopyranose
組成式:	C6 H12 O5 S
SMILES:	OC1C(O)C(OC(S)C1O)CO
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:	1-thio-beta-D-glucose
定義日:	2001-11-26
最終更新日:	2020-07-17
識別子（ID）:	1-thio-beta-D-glucopyranose

WIA

WIA
表記:	methyl 6-thio-beta-D-galactopyranoside
組成式:	C7 H14 O5 S
SMILES:	C1(OC)C(O)C(O)C(O)C(O1)CS
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
別名:	methyl 6-thio-beta-D-galactoside
定義日:	2003-11-28
最終更新日:	2020-07-17
識別子（ID）:	methyl 6-thio-beta-D-galactopyranoside

TXB

TXB
表記:	4-deoxy-4-thio-alpha-D-xylopyranose
組成式:	C5 H10 O4 S
SMILES:	O[CH]1OC[CH](S)[CH](O)[CH]1O
InChi:	InChI=1S/C5H10O4S/c6-3-2(10)1-9-5(8)4(3)7/h2-8,10H,1H2/t2-,3+,4-,5+/m1/s1
別名:	(2S,3R,4R,5R)-5-sulfanyloxane-2,3,4-triol
定義日:	2015-08-26
最終更新日:	2020-07-17
公開日:	2016-09-21
識別子（ID）:	(2S,3R,4R,5R)-5-sulfanyloxane-2,3,4-triol

KYK

KYK
表記:	N6-benzyl-(alpha,beta)-methylene-ADP
組成式:	C18 H23 N5 O9 P2
SMILES:	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(=O)C[P](O)(O)=O)n2cnc3c(NCc4ccccc4)ncnc23
InChi:	InChI=1S/C18H23N5O9P2/c24-14-12(7-31-34(29,30)10-33(26,27)28)32-18(15(14)25)23-9-22-13-16(20-8-21-17(13)23)19-6-11-4-2-1-3-5-11/h1-5,8-9,12,14-15,18,24-25H,6-7,10H2,(H,29,30)(H,19,20,21)(H2,26,27,28)/t12-,14-,15-,18-/m1/s1
定義日:	2019-07-05
最終更新日:	2020-07-17
公開日:	2020-07-22
識別子（ID）:	[[(2~{R},3~{S},4~{R},5~{R})-3,4-bis(oxidanyl)-5-[6-[(phenylmethyl)amino]purin-9-yl]oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid

GS9

GS9
表記:	naphthalen-2-yl 1-thio-beta-D-galactopyranoside
組成式:	C16 H18 O5 S
SMILES:	S(c1ccc2c(c1)cccc2)C3OC(C(O)C(O)C3O)CO
InChi:	InChI=1S/C16H18O5S/c17-8-12-13(18)14(19)15(20)16(21-12)22-11-6-5-9-3-1-2-4-10(9)7-11/h1-7,12-20H,8H2/t12-,13+,14+,15-,16+/m1/s1
別名:	naphthalen-2-yl 1-thio-beta-D-galactoside
定義日:	2011-11-08
最終更新日:	2020-07-17
公開日:	2012-10-12
識別子（ID）:	naphthalen-2-yl 1-thio-beta-D-galactopyranoside

UCD

UCD
表記:	(4S,5R,6R)-6-((2R,3R,4R,5R,6R)-3-ACETAMIDO-2,5-DIHYDROXY-6-(HYDROXYMETHYL)-TETRAHYDRO-2H-PYRAN-4-YLOXY)-4,5-DIHYDROXY-5 ,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID
組成式:	C14 H21 N O11
SMILES:	O=C(O)C=2OC(OC1C(O)C(OC(O)C1NC(=O)C)CO)C(O)C(O)C=2
InChi:	InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7+,8+,9+,10-,11+,13+,14-/m0/s1
別名:	4-DEOXY-L-THREO-HEX-4-ENOPYRANOSYLURONIC ACID-(1,3)-N-ACETYL-D-GALACTOSAMINE
定義日:	2005-08-04
最終更新日:	2020-07-17
識別子（ID）:	2-(acetylamino)-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl)-beta-D-galactopyranose

RVG

RVG
表記:	6-deoxy-2,3-di-O-methyl-beta-D-glucopyranose
組成式:	C8 H16 O5
SMILES:	OC1C(OC)C(OC)C(OC1C)O
InChi:	InChI=1S/C8H16O5/c1-4-5(9)6(11-2)7(12-3)8(10)13-4/h4-10H,1-3H3/t4-,5-,6+,7-,8-/m1/s1
定義日:	2020-02-26
最終更新日:	2020-07-17
公開日:	2020-07-29
識別子（ID）:	6-deoxy-2,3-di-O-methyl-beta-D-glucopyranose

JAG

JAG
表記:	2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-5,6,7,8-tetrahydro-3~{H}-quinolin-4-one
組成式:	C23 H20 F3 N O3
SMILES:	CC1=NC2=C(CCCC2)C(=O)[CH]1c3ccc(Oc4ccc(OC(F)(F)F)cc4)cc3
InChi:	InChI=1S/C23H20F3NO3/c1-14-21(22(28)19-4-2-3-5-20(19)27-14)15-6-8-16(9-7-15)29-17-10-12-18(13-11-17)30-23(24,25)26/h6-13,21H,2-5H2,1H3/t21-/m1/s1
定義日:	2019-01-30
最終更新日:	2020-07-17
公開日:	2020-07-22
識別子（ID）:	2-methyl-3-[4-[4-(trifluoromethyloxy)phenoxy]phenyl]-5,6,7,8-tetrahydro-3~{H}-quinolin-4-one

KYW

KYW
表記:	(N6,N6)-methyl,benzyl-C2-chloro-(alpha,beta)-methylene-ADP
組成式:	C19 H24 Cl N5 O9 P2
SMILES:	CN(Cc1ccccc1)c2nc(Cl)nc3n(cnc23)[CH]4O[CH](CO[P](O)(=O)C[P](O)(O)=O)[CH](O)[CH]4O
InChi:	InChI=1S/C19H24ClN5O9P2/c1-24(7-11-5-3-2-4-6-11)16-13-17(23-19(20)22-16)25(9-21-13)18-15(27)14(26)12(34-18)8-33-36(31,32)10-35(28,29)30/h2-6,9,12,14-15,18,26-27H,7-8,10H2,1H3,(H,31,32)(H2,28,29,30)/t12-,14-,15-,18-/m1/s1
定義日:	2019-07-05
最終更新日:	2020-07-17
公開日:	2020-07-22
識別子（ID）:	[[(2~{R},3~{S},4~{R},5~{R})-5-[2-chloranyl-6-[methyl-(phenylmethyl)amino]purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]methylphosphonic acid

M6D

M6D
表記:	6-O-phosphono-beta-D-mannopyranose
組成式:	C6 H13 O9 P
SMILES:	O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
InChi:	InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6-/m1/s1
別名:	beta-D-mannose-6-phosphate
定義日:	2007-11-21
最終更新日:	2020-07-17
識別子（ID）:	6-O-phosphono-beta-D-mannopyranose

RVM

RVM
表記:	4,6-dideoxy-2,3-di-O-methyl-alpha-D-xylo-hexopyranose
組成式:	C8 H16 O4
SMILES:	C1C(OC)C(OC)C(OC1C)O
InChi:	InChI=1S/C8H16O4/c1-5-4-6(10-2)7(11-3)8(9)12-5/h5-9H,4H2,1-3H3/t5-,6+,7-,8+/m1/s1
定義日:	2020-02-26
最終更新日:	2020-07-17
公開日:	2020-07-29
識別子（ID）:	4,6-dideoxy-2,3-di-O-methyl-alpha-D-xylo-hexopyranose

NSQ

NSQ
表記:	4-nitrophenyl alpha-D-6-sulfoquinovoside
組成式:	C12 H15 N O10 S
SMILES:	O[CH]1[CH](O)[CH](C[S](O)(=O)=O)O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH]1O
InChi:	InChI=1S/C12H15NO10S/c14-9-8(5-24(19,20)21)23-12(11(16)10(9)15)22-7-3-1-6(2-4-7)13(17)18/h1-4,8-12,14-16H,5H2,(H,19,20,21)/t8-,9-,10+,11-,12+/m1/s1
別名:	4-NITROPHENYL-ALPHA-D-SULFOQUINOVOSIDE
定義日:	2015-08-28
最終更新日:	2020-07-17
公開日:	2016-02-10
識別子（ID）:	[(2S,3S,4S,5R,6R)-6-(4-nitrophenoxy)-3,4,5-tris(oxidanyl)oxan-2-yl]methanesulfonic acid

M6P

M6P
表記:	6-O-phosphono-alpha-D-mannopyranose
組成式:	C6 H13 O9 P
SMILES:	O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
InChi:	InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5+,6+/m1/s1
別名:	ALPHA-D-MANNOSE-6-PHOSPHATE
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	6-O-phosphono-alpha-D-mannopyranose

XXM

XXM
表記:	3-C-(hydroxylmethyl)-alpha-D-erythrofuranose
組成式:	C5 H10 O5
SMILES:	OCC1(C(C(OC1)O)O)O
InChi:	InChI=1S/C5H10O5/c6-1-5(9)2-10-4(8)3(5)7/h3-4,6-9H,1-2H2/t3-,4-,5+/m0/s1
別名:	alpha-D-apiose
定義日:	2016-02-24
最終更新日:	2020-07-17
公開日:	2016-04-20
識別子（ID）:	(2S,3R,4R)-4-(hydroxymethyl)oxolane-2,3,4-triol

SQ4

SQ4
表記:	1-(4-aminophenyl)pyrrole-2,5-dione
組成式:	C10 H8 N2 O2
SMILES:	Nc1ccc(cc1)N2C(=O)C=CC2=O
InChi:	InChI=1S/C10H8N2O2/c11-7-1-3-8(4-2-7)12-9(13)5-6-10(12)14/h1-6H,11H2
定義日:	2020-03-11
最終更新日:	2020-07-17
公開日:	2020-07-22
識別子（ID）:	1-(4-aminophenyl)pyrrole-2,5-dione

SQ7

SQ7
表記:	3-(4-chlorophenyl)imidazole-2,4-dione
組成式:	C9 H5 Cl N2 O2
SMILES:	Clc1ccc(cc1)N2C(=O)C=NC2=O
InChi:	InChI=1S/C9H5ClN2O2/c10-6-1-3-7(4-2-6)12-8(13)5-11-9(12)14/h1-5H
定義日:	2020-03-11
最終更新日:	2020-07-17
公開日:	2020-07-22
識別子（ID）:	3-(4-chlorophenyl)imidazole-2,4-dione

K4W

K4W
表記:	4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol
組成式:	C18 H26 N6 O3
SMILES:	CC[CH](CO)Nc1nc(NCc2ccc(O)cc2)c(N=O)c(NC(C)C)n1
InChi:	InChI=1S/C18H26N6O3/c1-4-13(10-25)21-18-22-16(15(24-27)17(23-18)20-11(2)3)19-9-12-5-7-14(26)8-6-12/h5-8,11,13,25-26H,4,9-10H2,1-3H3,(H3,19,20,21,22,23)/t13-/m1/s1
定義日:	2019-04-24
最終更新日:	2020-07-17
公開日:	2020-07-22
識別子（ID）:	4-[[[5-nitroso-2-[[(2~{R})-1-oxidanylbutan-2-yl]amino]-6-(propan-2-ylamino)pyrimidin-4-yl]amino]methyl]phenol

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