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PDB ウェブページステータス検索化合物検索: 856 件 BIRD

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:	2020-07-17
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

TEU

TEU
表記:	1-O-alpha-D-glucopyranosyl-D-fructose
組成式:	C12 H22 O11
SMILES:	O=C(COC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)CO
InChi:	InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h4,6-15,17-21H,1-3H2/t4-,6-,7-,8-,9-,10+,11-,12+/m1/s1
別名:	1-O-alpha-D-glucosyl-D-fructose
定義日:	2012-10-04
最終更新日:	2020-07-17
公開日:	2013-09-25
識別子（ID）:	1-O-alpha-D-glucopyranosyl-D-fructose

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

OX2

OX2
表記:	(1R)-1,5-anhydro-1-(5-methyl-1,3,4-oxadiazol-2-yl)-D-glucitol
組成式:	C9 H14 N2 O6
SMILES:	OC1C(O)C(O)C(OC1CO)c2nnc(o2)C
InChi:	InChI=1S/C9H14N2O6/c1-3-10-11-9(16-3)8-7(15)6(14)5(13)4(2-12)17-8/h4-8,12-15H,2H2,1H3/t4-,5-,6+,7-,8-/m1/s1
別名:	2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-1,3,4-OXADIAZOLE
定義日:	2004-10-05
最終更新日:	2020-07-17
識別子（ID）:	(1R)-1,5-anhydro-1-(5-methyl-1,3,4-oxadiazol-2-yl)-D-glucitol

KFN

KFN
表記:	2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid
組成式:	C9 H14 O8
SMILES:	OC[CH](O)[CH](O)[CH]1OC(=C[CH](O)[CH]1O)C(O)=O
InChi:	InChI=1S/C9H14O8/c10-2-4(12)7(14)8-6(13)3(11)1-5(17-8)9(15)16/h1,3-4,6-8,10-14H,2H2,(H,15,16)/t3-,4+,6+,7+,8+/m0/s1
別名:	(4S,5R,6R)-4,5-DIHYDROXY-6-[(1R,2R)-1,2,3-TRIHYDROXYPROPYL]-5,6-DIHYDRO-4H-PYRAN-2-CARBOXYLIC ACID
定義日:	2010-11-26
最終更新日:	2020-07-17
識別子（ID）:	(4S,5R,6R)-4,5-dihydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]-5,6-dihydro-4H-pyran-2-carboxylic acid

AOG

AOG
表記:	octyl 3-amino-3-deoxy-beta-D-galactopyranoside
組成式:	C14 H29 N O5
SMILES:	O(CCCCCCCC)C1OC(C(O)C(N)C1O)CO
InChi:	InChI=1S/C14H29NO5/c1-2-3-4-5-6-7-8-19-14-13(18)11(15)12(17)10(9-16)20-14/h10-14,16-18H,2-9,15H2,1H3/t10-,11+,12+,13-,14-/m1/s1
別名:	4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL
定義日:	2003-10-28
最終更新日:	2020-07-17
識別子（ID）:	octyl 3-amino-3-deoxy-beta-D-galactopyranoside

9WJ

9WJ
表記:	4-acetamido-4,6-dideoxy-beta-D-mannopyranose
組成式:	C8 H15 N O5
SMILES:	OC1C(C(OC(C1NC(=O)C)C)O)O
InChi:	InChI=1S/C8H15NO5/c1-3-5(9-4(2)10)6(11)7(12)8(13)14-3/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7+,8-/m1/s1
別名:	4-(acetylamino)-4,6-dideoxy-beta-D-mannopyranose
定義日:	2017-06-19
最終更新日:	2020-07-17
公開日:	2018-10-24
識別子（ID）:	4-(acetylamino)-4,6-dideoxy-beta-D-mannopyranose

9WN

9WN
表記:	(2R)-2-(alpha-D-glucopyranosyloxy)-3-hydroxypropanoic acid
組成式:	C9 H16 O9
SMILES:	OC[CH]1O[CH](O[CH](CO)C(O)=O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C9H16O9/c10-1-3-5(12)6(13)7(14)9(17-3)18-4(2-11)8(15)16/h3-7,9-14H,1-2H2,(H,15,16)/t3-,4-,5-,6+,7-,9-/m1/s1
別名:	(2~{R})-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-propanoic acid
定義日:	2017-07-20
最終更新日:	2020-07-17
公開日:	2018-08-08
識別子（ID）:	(2~{R})-2-[(2~{R},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3-oxidanyl-propanoic 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)

KG1

KG1
表記:	propadienyl 6-deoxy-alpha-L-galactopyranoside
組成式:	C9 H14 O5
SMILES:	C[CH]1O[CH](O[CH]=[C]=[CH2])[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C9H14O5/c1-3-4-13-9-8(12)7(11)6(10)5(2)14-9/h4-12H,1H2,2H3/t5-,6+,7+,8-,9+/m0/s1
別名:	propargyl-fucoside
定義日:	2017-12-04
最終更新日:	2020-07-17
公開日:	2018-01-31
識別子（ID）:	(2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-propa-1,2-dienoxy-oxane-3,4,5-triol

JLT

JLT
表記:	3,7-anhydro-1,2,8-trideoxy-1,8-diphosphono-D-glycero-D-gulo-octitol
組成式:	C8 H18 O10 P2
SMILES:	O[CH]1[CH](O)[CH](CC[P](O)(O)=O)O[CH](C[P](O)(O)=O)[CH]1O
InChi:	InChI=1S/C8H18O10P2/c9-6-4(1-2-19(12,13)14)18-5(3-20(15,16)17)7(10)8(6)11/h4-11H,1-3H2,(H2,12,13,14)(H2,15,16,17)/t4-,5+,6-,7+,8+/m0/s1
別名:	[(2~{S},3~{S},4~{R},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-(2-phosphonoethyl)oxan-2-yl]methylphosphonic acid
定義日:	2019-03-11
最終更新日:	2020-07-17
公開日:	2020-04-01
識別子（ID）:	[(2~{S},3~{S},4~{R},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-(2-phosphonoethyl)oxan-2-yl]methylphosphonic acid

9WZ

9WZ
表記:	2-hydroxy-4-(2-hydroxyethyl)phenyl beta-D-fructofuranoside
組成式:	C14 H20 O8
SMILES:	OCCc1ccc(O[C]2(CO)O[CH](CO)[CH](O)[CH]2O)c(O)c1
InChi:	InChI=1S/C14H20O8/c15-4-3-8-1-2-10(9(18)5-8)21-14(7-17)13(20)12(19)11(6-16)22-14/h1-2,5,11-13,15-20H,3-4,6-7H2/t11-,12-,13+,14-/m1/s1
別名:	(2~{S},3~{S},4~{S},5~{R})-2-[4-(2-hydroxyethyl)-2-oxidanyl-phenoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol
定義日:	2017-07-21
最終更新日:	2020-07-17
公開日:	2018-11-28
識別子（ID）:	(2~{S},3~{S},4~{S},5~{R})-2-[4-(2-hydroxyethyl)-2-oxidanyl-phenoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol

TFU

TFU
表記:	methyl 1-seleno-beta-L-fucopyranoside
組成式:	C7 H14 O4 Se
SMILES:	C[Se][CH]1O[CH](C)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C7H14O4Se/c1-3-4(8)5(9)6(10)7(11-3)12-2/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1
別名:	(2S,3S,4R,5S,6R)-2-methyl-6-methylselanyl-oxane-3,4,5-triol
定義日:	2015-11-12
最終更新日:	2020-07-17
公開日:	2016-06-29
識別子（ID）:	(2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-methylselanyl-oxane-3,4,5-triol

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:	2020-07-17
公開日:	2020-07-01
識別子（ID）:	2-deoxy-2-fluoro-alpha-D-arabinofuranose

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

V3P

V3P
表記:	4-iodophenyl 1,4-dithio-beta-D-glucopyranoside
組成式:	C12 H15 I O4 S2
SMILES:	C1(C(CO)OC(C(C1O)O)Sc2ccc(cc2)I)S
InChi:	InChI=1S/C12H15IO4S2/c13-6-1-3-7(4-2-6)19-12-10(16)9(15)11(18)8(5-14)17-12/h1-4,8-12,14-16,18H,5H2/t8-,9-,10-,11-,12+/m1/s1
定義日:	2020-06-21
最終更新日:	2020-07-17
公開日:	2020-07-01
識別子（ID）:	4-iodophenyl 1,4-dithio-beta-D-glucopyranoside

ISD

ISD
表記:	ISOASCORBIC ACID
組成式:	C6 H8 O6
SMILES:	O=C1OC(C(O)=C1O)C(O)CO
InChi:	InChI=1S/C6H8O6/c7-1-2(8)5-3(9)4(10)6(11)12-5/h2,5,7-10H,1H2/t2-,5-/m1/s1
別名:	(5R)-5-[(1R)-1,2-DIHYDROXYETHYL]-3,4-DIHYDROXYFURAN-2(5H)-ONE
定義日:	2007-04-24
最終更新日:	2020-07-17
識別子（ID）:	(5R)-5-[(1R)-1,2-dihydroxyethyl]-3,4-dihydroxyfuran-2(5H)-one (non-preferred name)

NPF

NPF
表記:	2-nitrophenyl beta-D-fucopyranoside
組成式:	C12 H15 N O7
SMILES:	[O-][N+](=O)c2c(OC1OC(C(O)C(O)C1O)C)cccc2
InChi:	InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-5-3-2-4-7(8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12+/m1/s1
別名:	ORTHONITROPHENYL-BETA-D-FUCOPYRANOSIDE
定義日:	2000-02-08
最終更新日:	2020-07-17
識別子（ID）:	2-nitrophenyl 6-deoxy-beta-D-galactopyranoside

S7P

S7P
表記:	1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose
組成式:	C7 H15 O10 P
SMILES:	O=P(O)(O)OCC(O)C1OC(O)(CO)C(O)C1O
InChi:	InChI=1S/C7H15O10P/c8-2-7(12)6(11)4(10)5(17-7)3(9)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5-,6+,7-/m1/s1
別名:	1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrose
定義日:	2014-08-28
最終更新日:	2020-07-17
公開日:	2015-08-12
識別子（ID）:	1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose

RST

RST
表記:	3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose
組成式:	C6 H13 N O3
SMILES:	OC1C(OC(O)CC1N)C
InChi:	InChI=1S/C6H13NO3/c1-3-6(9)4(7)2-5(8)10-3/h3-6,8-9H,2,7H2,1H3/t3-,4+,5+,6-/m0/s1
別名:	RISTOSAMINE
定義日:	2002-09-02
最終更新日:	2020-07-17
識別子（ID）:	3-amino-2,3,6-trideoxy-alpha-L-ribo-hexopyranose

ISL

ISL
表記:	6-O-alpha-D-glucopyranosyl-D-fructose
組成式:	C12 H22 O11
SMILES:	O=C(CO)C(O)C(O)C(O)COC1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C12H22O11/c13-1-4(15)7(17)8(18)5(16)3-22-12-11(21)10(20)9(19)6(2-14)23-12/h5-14,16-21H,1-3H2/t5-,6-,7-,8-,9-,10+,11-,12+/m1/s1
別名:	6-O-alpha-D-glucosyl-D-fructose
定義日:	2012-10-03
最終更新日:	2020-07-17
公開日:	2013-09-25
識別子（ID）:	6-O-alpha-D-glucopyranosyl-D-fructose

KGM

KGM
表記:	heptyl alpha-D-mannopyranoside
組成式:	C13 H26 O6
SMILES:	O(CCCCCCC)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C13H26O6/c1-2-3-4-5-6-7-18-13-12(17)11(16)10(15)9(8-14)19-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12+,13+/m1/s1
別名:	Heptyl Alpha-D-mannopyrannoside
定義日:	2013-06-23
最終更新日:	2020-07-17
公開日:	2014-02-12
識別子（ID）:	heptyl alpha-D-mannopyranoside

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:	2020-07-17
識別子（ID）:	(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(2-sulfanylethoxy)oxane-3,4,5-triol

S81

S81
表記:	(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-glucopyranoside
組成式:	C12 H25 F N4 O5
SMILES:	C1(C(C(O)C(F)C(CN)O1)N)OC2C(C(O)C(N)CC2N)O
InChi:	InChI=1S/C12H25FN4O5/c13-6-5(2-14)21-12(7(17)9(6)19)22-11-4(16)1-3(15)8(18)10(11)20/h3-12,18-20H,1-2,14-17H2/t3-,4+,5-,6-,7-,8+,9+,10-,11-,12-/m1/s1
別名:	(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-glucoside
定義日:	2015-06-17
最終更新日:	2020-07-17
公開日:	2016-06-22
識別子（ID）:	(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-glucopyranoside

ISX

ISX
表記:	(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-D-glucopyranoside
組成式:	C12 H23 N O8
SMILES:	O(C1CNCC(CO)C1O)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C12H23NO8/c14-3-5-1-13-2-6(8(5)16)20-12-11(19)10(18)9(17)7(4-15)21-12/h5-19H,1-4H2/t5-,6-,7-,8-,9-,10+,11-,12-/m1/s1
別名:	GLUCOSE BETA-1,3-ISOFAGAMINE
定義日:	2005-06-27
最終更新日:	2020-07-17
識別子（ID）:	(3R,4R,5R)-4-hydroxy-5-(hydroxymethyl)piperidin-3-yl beta-D-glucopyranoside

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