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: 898 件 BIRD

G20

G20
表記:	5-N-acetyl-4-guanidino-6-methyl(propyl) carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid
組成式:	C14 H23 N5 O5
SMILES:	O=C(O)C=1OC(C(=O)N(CCC)C)C(NC(=O)C)C(NC(=[N@H])N)C=1
InChi:	InChI=1S/C14H23N5O5/c1-4-5-19(3)12(21)11-10(17-7(2)20)8(18-14(15)16)6-9(24-11)13(22)23/h6,8,10-11H,4-5H2,1-3H3,(H,17,20)(H,22,23)(H4,15,16,18)/t8-,10+,11+/m0/s1
別名:	4-ACETYL-4-GUANIDINO-6-METHYL(PROPYL)CARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	(2R,3R,4S)-3-(acetylamino)-4-carbamimidamido-2-[methyl(propyl)carbamoyl]-3,4-dihydro-2H-pyran-6-carboxylic acid (non-preferred name)

G28

G28
表記:	5-N-acetyl-4-amino-6-diethyl carboxamide-4,5-dihydro-2H-pyran-2-carboxylic acid
組成式:	C13 H21 N3 O5
SMILES:	C(O)(=O)C1=CC(C(NC(=O)C)C(O1)C(=O)N(CC)CC)N
InChi:	InChI=1S/C13H21N3O5/c1-4-16(5-2)12(18)11-10(15-7(3)17)8(14)6-9(21-11)13(19)20/h6,8,10-11H,4-5,14H2,1-3H3,(H,15,17)(H,19,20)/t8-,10+,11+/m0/s1
別名:	5-N-ACETYL-4-AMINO-6-DIETHYLCARBOXAMIDE-4,5-DIHYDRO-2H-PYRAN-2-CARBOXYLIC ACID
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	(2R,3R,4S)-3-(acetylamino)-4-amino-2-(diethylcarbamoyl)-3,4-dihydro-2H-pyran-6-carboxylic acid (non-preferred name)

G2F

G2F
表記:	2-deoxy-2-fluoro-alpha-D-glucopyranose
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-glucose
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	2-deoxy-2-fluoro-alpha-D-glucopyranose

LFR

LFR
表記:	beta-L-fructofuranose
組成式:	C6 H12 O6
SMILES:	OC1C(O)C(OC1(O)CO)CO
InChi:	InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5+,6-/m0/s1
別名:	beta-L-fructose
定義日:	2006-03-09
最終更新日:	2020-07-17
識別子（ID）:	beta-L-fructofuranose

LGC

LGC
表記:	D-glucono-1,5-lactone
組成式:	C6 H10 O6
SMILES:	O=C1OC(CO)C(O)C(O)C1O
InChi:	InChI=1S/C6H10O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-5,7-10H,1H2/t2-,3-,4+,5-/m1/s1
別名:	(3S,4R,5R,6S)-3,4,5-TRIHYDROXY-6-(HYDROXYMETHYL)TETRAHYDRO-2H-PYRAN-2-ONE
定義日:	2000-08-25
最終更新日:	2020-07-17
識別子（ID）:	(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-one (non-preferred name)

LGU

LGU
表記:	alpha-L-gulopyranuronic 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-L-guluronic acid
定義日:	2002-12-18
最終更新日:	2020-07-17
識別子（ID）:	alpha-L-gulopyranuronic acid

1X4

1X4
表記:	2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose
組成式:	C5 H11 O6 P
SMILES:	O=P(OCC1OC(O)CC1)(O)O
InChi:	InChI=1S/C5H11O6P/c6-5-2-1-4(11-5)3-10-12(7,8)9/h4-6H,1-3H2,(H2,7,8,9)/t4-,5-/m0/s1
別名:	2,3-dideoxyribose-5-phosphate
定義日:	2013-07-22
最終更新日:	2020-07-17
公開日:	2013-07-31
識別子（ID）:	[(2S,5S)-5-hydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate

LKA

LKA
表記:	5-thio-alpha-D-mannopyranosylamine
組成式:	C6 H13 N O4 S
SMILES:	OC1C(O)C(SC(N)C1O)CO
InChi:	InChI=1S/C6H13NO4S/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2/t2-,3-,4+,5+,6+/m1/s1
別名:	5-THIO-A/B-D-MANNOPYRANOSYLAMINE
定義日:	2003-10-07
最終更新日:	2020-07-17
識別子（ID）:	5-thio-alpha-D-mannopyranosylamine

LKS

LKS
表記:	N-[(1Z)-2-phenylethanimidoyl]-5-thio-alpha-D-mannopyranosylamine
組成式:	C14 H20 N2 O4 S
SMILES:	[N@H]=C(NC1SC(C(O)C(O)C1O)CO)Cc2ccccc2
InChi:	InChI=1S/C14H20N2O4S/c15-10(6-8-4-2-1-3-5-8)16-14-13(20)12(19)11(18)9(7-17)21-14/h1-5,9,11-14,17-20H,6-7H2,(H2,15,16)/t9-,11-,12+,13+,14+/m1/s1
別名:	N-(1-IMINIO-2-PHENYLETHYL)-5-THIOHEXOPYRANOSYLAMINE BROMIDE
定義日:	2003-10-08
最終更新日:	2020-07-17
識別子（ID）:	N-[(1Z)-2-phenylethanimidoyl]-5-thio-alpha-D-mannopyranosylamine

20X

20X
表記:	N-({(2E)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
組成式:	C14 H18 F N3 O5 S
SMILES:	S=C(NC1OC(C(O)C(O)C1O)CO)N/N=C/c2ccc(F)cc2
InChi:	InChI=1S/C14H18FN3O5S/c15-8-3-1-7(2-4-8)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:	4-fluorobenzaldehyde-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-(4-fluorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine

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

LNV

LNV
表記:	5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid
組成式:	C13 H22 N4 O7
SMILES:	O=C(O)C=1OC(C(OC)C(O)CO)C(NC(=O)C)C(C=1)NC(=[N@H])N
InChi:	InChI=1S/C13H22N4O7/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17)/t6-,7+,9+,10+,11+/m0/s1
別名:	5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid
定義日:	2011-09-01
最終更新日:	2020-07-17
識別子（ID）:	5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid

LOG

LOG
表記:	N-acetylglucosaminono-1,5-lactone (Z)-oxime
組成式:	C8 H14 N2 O6
SMILES:	O=C(NC1C(=NO)OC(CO)C(O)C1O)C
InChi:	InChI=1S/C8H14N2O6/c1-3(12)9-5-7(14)6(13)4(2-11)16-8(5)10-15/h4-7,11,13-15H,2H2,1H3,(H,9,12)/b10-8-/t4-,5-,6-,7-/m1/s1
別名:	LOGNAC
定義日:	2010-07-22
最終更新日:	2020-07-17
識別子（ID）:	N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-2-(hydroxyimino)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)

LOX

LOX
表記:	(2Z,3S,4S,5R)-2-hydroxyiminopiperidine-3,4,5-triol
組成式:	C5 H10 N2 O4
SMILES:	OC1C(=NO)NCC(O)C1O
InChi:	InChI=1S/C5H10N2O4/c8-2-1-6-5(7-11)4(10)3(2)9/h2-4,8-11H,1H2,(H,6,7)/t2-,3+,4-/m1/s1
別名:	3,4,5-TRIHYDOXY-PIPERIDINE-2-ONE-OXIME
定義日:	2000-08-17
最終更新日:	2020-07-17
識別子（ID）:	(2Z,3S,4S,5R)-3,4,5-trihydroxypiperidin-2-one oxime

3R3

3R3
表記:	[[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid
組成式:	C5 H14 N O13 P3
SMILES:	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(=O)N[P](O)(O)=O
InChi:	InChI=1S/C5H14NO13P3/c7-3-2(1-17-22(14,15)16)18-5(4(3)8)19-21(12,13)6-20(9,10)11/h2-5,7-8H,1H2,(H2,14,15,16)(H4,6,9,10,11,12,13)/t2-,3-,4-,5-/m1/s1
定義日:	2014-10-13
最終更新日:	2020-07-17
公開日:	2015-12-23
識別子（ID）:	[[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid

LRH

LRH
表記:	6-deoxy-beta-L-fructofuranose
組成式:	C6 H12 O5
SMILES:	OC1C(O)C(OC1(O)CO)C
InChi:	InChI=1S/C6H12O5/c1-3-4(8)5(9)6(10,2-7)11-3/h3-5,7-10H,2H2,1H3/t3-,4-,5+,6-/m0/s1
別名:	6-deoxy-beta-L-fructose
定義日:	2007-04-13
最終更新日:	2020-07-17
識別子（ID）:	6-deoxy-beta-L-fructofuranose

3S6

3S6
表記:	prop-2-en-1-yl beta-D-galactofuranoside
組成式:	C9 H16 O6
SMILES:	O(C/C=C)C1OC(C(O)C1O)C(O)CO
InChi:	InChI=1S/C9H16O6/c1-2-3-14-9-7(13)6(12)8(15-9)5(11)4-10/h2,5-13H,1,3-4H2/t5-,6-,7-,8+,9-/m1/s1
別名:	prop-2-en-1-yl beta-D-galactoside
定義日:	2014-10-16
最終更新日:	2020-07-17
公開日:	2015-07-01
識別子（ID）:	prop-2-en-1-yl beta-D-galactofuranoside

I57

I57
表記:	2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-en onic acid
組成式:	C21 H26 N4 O7
SMILES:	CC(C)C(=O)N[CH]1[CH](OC(=C[CH]1n2cc(nn2)c3ccccc3)C(O)=O)[CH](O)[CH](O)CO
InChi:	InChI=1S/C21H26N4O7/c1-11(2)20(29)22-17-14(25-9-13(23-24-25)12-6-4-3-5-7-12)8-16(21(30)31)32-19(17)18(28)15(27)10-26/h3-9,11,14-15,17-19,26-28H,10H2,1-2H3,(H,22,29)(H,30,31)/t14-,15+,17+,18+,19+/m0/s1
別名:	(2~{R},3~{R},4~{S})-3-(2-methylpropanoylamino)-4-(4-phenyl-1,2,3-triazol-1-yl)-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)pro pyl]-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~{R},3~{R},4~{S})-3-(2-methylpropanoylamino)-4-(4-phenyl-1,2,3-triazol-1-yl)-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)pro pyl]-3,4-dihydro-2~{H}-pyran-6-carboxylic acid

3YW

3YW
表記:	(2S)-2,3-dihydroxypropyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
組成式:	C11 H21 N O8
SMILES:	O=C(NC1C(O)C(O)C(OC1OCC(O)CO)CO)C
InChi:	InChI=1S/C11H21NO8/c1-5(15)12-8-10(18)9(17)7(3-14)20-11(8)19-4-6(16)2-13/h6-11,13-14,16-18H,2-4H2,1H3,(H,12,15)/t6-,7+,8+,9+,10+,11-/m0/s1
別名:	(2S)-2,3-dihydroxypropyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside
定義日:	2014-12-10
最終更新日:	2020-07-17
公開日:	2015-02-25
識別子（ID）:	(2S)-2,3-dihydroxypropyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside

IDC

IDC
表記:	(5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside
組成式:	C14 H22 N2 O9
SMILES:	O(C2C(O)C(O)c1nccn1C2CO)C3OC(C(O)C(O)C3O)CO
InChi:	InChI=1S/C14H22N2O9/c17-3-5-12(9(21)10(22)13-15-1-2-16(5)13)25-14-11(23)8(20)7(19)6(4-18)24-14/h1-2,5-12,14,17-23H,3-4H2/t5-,6-,7-,8+,9-,10-,11-,12-,14+/m1/s1
別名:	5-HYDROXYMETHYL-5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-6YL-7,8-DIOL-GLUCOPYRANOSIDE
定義日:	1999-08-03
最終更新日:	2020-07-17
識別子（ID）:	(5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside

IDF

IDF
表記:	5-fluoro-alpha-L-idopyranosyluronic acid fluoride
組成式:	C6 H8 F2 O6
SMILES:	FC1OC(F)(C(=O)O)C(O)C(O)C1O
InChi:	InChI=1S/C6H8F2O6/c7-4-2(10)1(9)3(11)6(8,14-4)5(12)13/h1-4,9-11H,(H,12,13)/t1-,2-,3+,4-,6-/m1/s1
別名:	5-fluoro-alpha-L-idosyluronic acid fluoride
定義日:	2013-05-07
最終更新日:	2020-07-17
公開日:	2013-09-18
識別子（ID）:	(2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

IDG

IDG
表記:	2,6-diamino-2,6-dideoxy-beta-L-idopyranose
組成式:	C6 H14 N2 O4
SMILES:	OC1C(O)C(OC(O)C1N)CN
InChi:	InChI=1S/C6H14N2O4/c7-1-2-4(9)5(10)3(8)6(11)12-2/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5+,6-/m0/s1
別名:	O-2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSE
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	2,6-diamino-2,6-dideoxy-beta-L-idopyranose

IDR

IDR
表記:	alpha-L-idopyranuronic 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-L-iduronic acid
定義日:	2000-12-12
最終更新日:	2020-07-17
識別子（ID）:	alpha-L-idopyranuronic acid

IDS

IDS
表記:	2-O-sulfo-alpha-L-idopyranuronic acid
組成式:	C6 H10 O10 S
SMILES:	O=S(=O)(OC1C(O)C(O)C(OC1O)C(=O)O)O
InChi:	InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2-,3+,4+,6+/m0/s1
別名:	O2-SULFO-GLUCURONIC ACID
定義日:	1999-07-08
最終更新日:	2020-07-17
識別子（ID）:	2-O-sulfo-alpha-L-idopyranuronic acid

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