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PDB Info pages Status search Chemie search: 908 results BIRD

9KJ

9KJ
Name:	{[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid
Formula:	C13 H26 N O12 P
SMILES:	C(C2C(OC1C(O)C(C(C(CO)O1)O)O)C(C(N2CP(=O)(O)O)CO)O)O
InChi:	InChI=1S/C13H26NO12P/c15-1-5-8(18)12(6(2-16)14(5)4-27(22,23)24)26-13-11(21)10(20)9(19)7(3-17)25-13/h5-13,15-21H,1-4H2,(H2,22,23,24)/t5-,6-,7-,8-,9-,10+,11-,12-,13-/m1/s1
Synonyms:	{[(2R,3R,4R,5R)-3-(alpha-D-glucosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid
Definition date:	2017-05-17
Last modified:	2020-07-17
Release date:	2017-06-07
Identifier:	{[(2R,3R,4R,5R)-3-(alpha-D-glucopyranosyloxy)-4-hydroxy-2,5-bis(hydroxymethyl)pyrrolidin-1-yl]methyl}phosphonic acid

UDC

UDC
Name:	2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose
Formula:	C13 H23 N O10
SMILES:	O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)(C)C(O)CO
InChi:	InChI=1S/C13H23NO10/c1-5(17)14-8-10(9(19)6(3-15)23-11(8)20)24-13(2,12(21)22)7(18)4-16/h6-11,15-16,18-20H,3-4H2,1-2H3,(H,14,17)(H,21,22)/t6-,7+,8-,9-,10-,11+,13+/m1/s1
Synonyms:	2-(acetylamino)-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose
Definition date:	2007-05-31
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose

9MR

9MR
Name:	(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranoside
Formula:	C12 H23 N O8
SMILES:	O(C1C(O)CNCC1CO)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C12H23NO8/c14-3-5-1-13-2-6(16)11(5)21-12-10(19)9(18)8(17)7(4-15)20-12/h5-19H,1-4H2/t5-,6-,7-,8-,9+,10-,11-,12+/m1/s1
Synonyms:	CELLOBIOSE-LIKE ISOFAGOMINE
Definition date:	2007-02-26
Last modified:	2020-07-17
Identifier:	(3R,4R,5R)-3-hydroxy-5-(hydroxymethyl)piperidin-4-yl beta-D-glucopyranoside

UEA

UEA
Name:	beta-D-sorbofuranose
Formula:	C6 H12 O6
SMILES:	OC1(C(C(C(O1)CO)O)O)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-/m1/s1
Synonyms:	beta-D-sorbose
Definition date:	2020-05-09
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	beta-D-sorbofuranose

9OK

9OK
Name:	2-(3,4-dihydroxyphenyl)ethyl beta-D-fructofuranoside
Formula:	C14 H20 O8
SMILES:	OC[CH]1O[C](CO)(OCCc2ccc(O)c(O)c2)[CH](O)[CH]1O
InChi:	InChI=1S/C14H20O8/c15-6-11-12(19)13(20)14(7-16,22-11)21-4-3-8-1-2-9(17)10(18)5-8/h1-2,5,11-13,15-20H,3-4,6-7H2/t11-,12-,13+,14-/m1/s1
Synonyms:	fructosyl-hydroxytyrosol
Definition date:	2017-06-19
Last modified:	2020-07-17
Release date:	2018-11-28
Identifier:	(2~{R},3~{S},4~{S},5~{R})-2-[2-[3,4-bis(oxidanyl)phenyl]ethoxy]-2,5-bis(hydroxymethyl)oxolane-3,4-diol

9PG

9PG
Name:	4-nitrophenyl alpha-D-galactopyranoside
Formula:	C12 H15 N O8
SMILES:	C(C1OC(C(C(C1O)O)O)Oc2ccc([N+]([O-])=O)cc2)O
InChi:	InChI=1S/C12H15NO8/c14-5-8-9(15)10(16)11(17)12(21-8)20-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9+,10+,11-,12+/m1/s1
Synonyms:	4-nitrophenyl alpha-D-galactoside
Definition date:	2015-05-22
Last modified:	2020-07-17
Release date:	2015-07-29
Identifier:	4-nitrophenyl alpha-D-galactopyranoside

9QG

9QG
Name:	methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactopyranoside
Formula:	C10 H18 O8
SMILES:	O(C)C1OC(CO)C(C(C1O)OC(C(O)=O)C)O
InChi:	InChI=1S/C10H18O8/c1-4(9(14)15)17-8-6(12)5(3-11)18-10(16-2)7(8)13/h4-8,10-13H,3H2,1-2H3,(H,14,15)/t4-,5-,6+,7-,8+,10-/m1/s1
Synonyms:	methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactoside
Definition date:	2017-05-25
Last modified:	2020-07-17
Release date:	2018-05-23
Identifier:	methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactopyranoside

9SG

9SG
Name:	(2R,3R,5R,6R)-5-acetamido-2,3-bis(fluoranyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
Formula:	C11 H17 F2 N O7
SMILES:	O=C(C)NC1C(C(C(CO)O)O)OC(C(C1)F)(F)C(=O)O
InChi:	InChI=1S/C11H17F2NO7/c1-4(16)14-5-2-7(12)11(13,10(19)20)21-9(5)8(18)6(17)3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8-,9-,11-/m1/s1
Synonyms:	(2~{R},3~{R},5~{R},6~{R})-5-acetamido-2,3-bis(fluoranyl)-6-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid
Definition date:	2017-06-07
Last modified:	2020-07-17
Release date:	2018-02-21
Identifier:	(2R,3R,5R,6R)-5-(acetylamino)-2,3-difluoro-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

9SM

9SM
Name:	(2R,3R,4R,5R,6S)-5-acetamido-6-[(2S)-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
Formula:	C11 H17 F2 N O7
SMILES:	OC(C1(OC(CC(CO)O)C(C(C1F)O)NC(=O)C)F)=O
InChi:	InChI=1S/C11H17F2NO7/c1-4(16)14-7-6(2-5(17)3-15)21-11(13,10(19)20)9(12)8(7)18/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8+,9+,11+/m0/s1
Synonyms:	(2~{R},3~{R},4~{R},5~{R},6~{S})-5-acetamido-6-[(2~{S})-2,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-c arboxylic acid
Definition date:	2017-06-07
Last modified:	2020-07-17
Release date:	2018-02-21
Identifier:	(2R,3R,4R,5R,6S)-5-(acetylamino)-6-[(2S)-2,3-dihydroxypropyl]-2,3-difluoro-4-hydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

9SP

9SP
Name:	(2R,3R,4R,5R,6R)-5-acetamido-6-[(1R)-1,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
Formula:	C11 H17 F2 N O7
SMILES:	OC(C1(OC(C(O)CCO)C(C(C1F)O)NC(=O)C)F)=O
InChi:	InChI=1S/C11H17F2NO7/c1-4(16)14-6-7(18)9(12)11(13,10(19)20)21-8(6)5(17)2-3-15/h5-9,15,17-18H,2-3H2,1H3,(H,14,16)(H,19,20)/t5-,6-,7-,8+,9-,11-/m1/s1
Synonyms:	(2~{R},3~{R},4~{R},5~{R},6~{R})-5-acetamido-6-[(1~{R})-1,3-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-c arboxylic acid
Definition date:	2017-06-07
Last modified:	2020-07-17
Release date:	2018-02-21
Identifier:	(2R,3R,4R,5R,6R)-5-(acetylamino)-6-[(1R)-1,3-dihydroxypropyl]-2,3-difluoro-4-hydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

9T7

9T7
Name:	(2R,3R,4R,5R,6R)-5-acetamido-6-[(1R,2R)-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxane-2-carboxylic acid
Formula:	C11 H17 F2 N O7
SMILES:	OC(C1(OC(C(C(C)O)O)C(C(C1F)O)NC(=O)C)F)=O
InChi:	InChI=1S/C11H17F2NO7/c1-3(15)6(17)8-5(14-4(2)16)7(18)9(12)11(13,21-8)10(19)20/h3,5-9,15,17-18H,1-2H3,(H,14,16)(H,19,20)/t3-,5-,6-,7-,8-,9-,11-/m1/s1
Synonyms:	(2~{R},3~{R},4~{R},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{R})-1,2-bis(oxidanyl)propyl]-2,3-bis(fluoranyl)-4-oxidanyl-oxa ne-2-carboxylic acid
Definition date:	2017-06-07
Last modified:	2020-07-17
Release date:	2018-02-21
Identifier:	(2R,3R,4R,5R,6R)-5-(acetylamino)-6-[(1R,2R)-1,2-dihydroxypropyl]-2,3-difluoro-4-hydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)

NA1

NA1
Name:	2-acetamido-2-deoxy-6-O-methyl-alpha-D-allopyranose
Formula:	C9 H17 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)COC)C
InChi:	InChI=1S/C9H17NO6/c1-4(11)10-6-8(13)7(12)5(3-15-2)16-9(6)14/h5-9,12-14H,3H2,1-2H3,(H,10,11)/t5-,6-,7-,8+,9?/m1/s1
Synonyms:	METHYL N-ACETYL ALLOSAMINE
Definition date:	2003-03-10
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-6-O-methyl-alpha-D-allopyranose

NAA

NAA
Name:	2-acetamido-2-deoxy-beta-D-allopyranose
Formula:	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
Synonyms:	N-acetyl-beta-D-allosamine
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-beta-D-allopyranose

NBX

NBX
Name:	N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
Formula:	C14 H19 N3 O7
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc(N)cc2
InChi:	InChI=1S/C14H19N3O7/c15-7-3-1-6(2-4-7)12(22)16-14(23)17-13-11(21)10(20)9(19)8(5-18)24-13/h1-4,8-11,13,18-21H,5,15H2,(H2,16,17,22,23)/t8-,9-,10+,11-,13-/m1/s1
Synonyms:	N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine
Definition date:	2008-02-13
Last modified:	2020-07-17
Identifier:	N-{[(4-aminophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine

NBY

NBY
Name:	N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine
Formula:	C14 H17 N3 O9
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ccc([N+]([O-])=O)cc2
InChi:	InChI=1S/C14H17N3O9/c18-5-8-9(19)10(20)11(21)13(26-8)16-14(23)15-12(22)6-1-3-7(4-2-6)17(24)25/h1-4,8-11,13,18-21H,5H2,(H2,15,16,22,23)/t8-,9-,10+,11-,13-/m1/s1
Synonyms:	N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucosylamine
Definition date:	2008-02-13
Last modified:	2020-07-17
Identifier:	N-{[(4-nitrophenyl)carbonyl]carbamoyl}-beta-D-glucopyranosylamine

NFG

NFG
Name:	2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside
Formula:	C12 H13 F N2 O9
SMILES:	[O-][N+](=O)c2ccc(OC1OC(C(O)C(O)C1F)CO)c([N+]([O-])=O)c2
InChi:	InChI=1S/C12H13FN2O9/c13-9-11(18)10(17)8(4-16)24-12(9)23-7-2-1-5(14(19)20)3-6(7)15(21)22/h1-3,8-12,16-18H,4H2/t8-,9-,10-,11-,12-/m1/s1
Synonyms:	2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucoside
Definition date:	2000-07-07
Last modified:	2020-07-17
Identifier:	2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-glucopyranoside

NG1

NG1
Name:	2-acetamido-2-deoxy-1-O-phosphono-alpha-D-galactopyranose
Formula:	C8 H16 N O9 P
SMILES:	O=P(OC1OC(C(O)C(O)C1NC(=O)C)CO)(O)O
InChi:	InChI=1S/C8H16NO9P/c1-3(11)9-5-7(13)6(12)4(2-10)17-8(5)18-19(14,15)16/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H2,14,15,16)/t4-,5-,6+,7-,8-/m1/s1
Synonyms:	N-ACETYL-ALPHA-D-GALACTOSAMINE 1-PHOSPHATE
Definition date:	2005-06-27
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-1-O-phosphono-alpha-D-galactopyranose

NG6

NG6
Name:	2-acetamido-2-deoxy-6-O-sulfo-beta-D-galactopyranose
Formula:	C8 H15 N O9 S
SMILES:	O=S(=O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
InChi:	InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6+,7-,8-/m1/s1
Synonyms:	N-ACETYL-D-GALACTOSAMINE 6-SULFATE
Definition date:	2000-12-12
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-galactopyranose

NGC

NGC
Name:	N-glycolyl-alpha-neuraminic acid
Formula:	C11 H19 N O10
SMILES:	O=C(O)C1(O)OC(C(NC(=O)CO)C(O)C1)C(O)C(O)CO
InChi:	InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11+/m0/s1
Synonyms:	N-glycolylneuraminic acid
Definition date:	2008-07-25
Last modified:	2020-07-17
Identifier:	3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid

NGE

NGE
Name:	N-glycolyl-beta-neuraminic acid
Formula:	C11 H19 N O10
SMILES:	O=C(O)C1(O)OC(C(O)C(O)CO)C(NC(=O)CO)C(O)C1
InChi:	InChI=1S/C11H19NO10/c13-2-5(16)8(18)9-7(12-6(17)3-14)4(15)1-11(21,22-9)10(19)20/h4-5,7-9,13-16,18,21H,1-3H2,(H,12,17)(H,19,20)/t4-,5+,7+,8+,9+,11-/m0/s1
Synonyms:	N-glycolylneuraminic acid
Definition date:	2009-11-05
Last modified:	2020-07-17
Identifier:	3,5-dideoxy-5-[(hydroxyacetyl)amino]-D-glycero-beta-D-galacto-non-2-ulopyranosonic acid

NGK

NGK
Name:	2-acetamido-2-deoxy-4-O-sulfo-alpha-D-galactopyranose
Formula:	C8 H15 N O9 S
SMILES:	O=S(=O)(O)OC1C(OC(O)C(NC(=O)C)C1O)CO
InChi:	InChI=1S/C8H15NO9S/c1-3(11)9-5-6(12)7(18-19(14,15)16)4(2-10)17-8(5)13/h4-8,10,12-13H,2H2,1H3,(H,9,11)(H,14,15,16)/t4-,5-,6-,7+,8+/m1/s1
Synonyms:	2-(ACETYLAMINO)-2-DEOXY-4-O-SULFO-ALPHA-D-GALACTOPYRANOSE
Definition date:	2003-04-15
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-4-O-sulfo-alpha-D-galactopyranose

NGS

NGS
Name:	2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranose
Formula:	C8 H15 N O9 S
SMILES:	O=S(=O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
InChi:	InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6-,7-,8-/m1/s1
Synonyms:	2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranose
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranose

NGY

NGY
Name:	2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose
Formula:	C8 H15 N O9 S
SMILES:	O=S(=O)(O)OCC1OC(O)C(NC(=O)C)C(O)C1O
InChi:	InChI=1S/C8H15NO9S/c1-3(10)9-5-7(12)6(11)4(18-8(5)13)2-17-19(14,15)16/h4-8,11-13H,2H2,1H3,(H,9,10)(H,14,15,16)/t4-,5-,6-,7-,8+/m1/s1
Synonyms:	2-(acetylamino)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose
Definition date:	2008-06-13
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-6-O-sulfo-alpha-D-glucopyranose

NGZ

NGZ
Name:	2-acetamido-2-deoxy-alpha-L-glucopyranose
Formula:	C8 H15 N O6
SMILES:	C1(C(C(C(C(CO)O1)O)O)NC(C)=O)O
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+/m0/s1
Synonyms:	N-acetyl-alpha-L-glucosamine
Definition date:	2004-06-10
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-alpha-L-glucopyranose

NHF

NHF
Name:	1,5-anhydro-D-fructose
Formula:	C6 H10 O5
SMILES:	O=C1COC(CO)C(O)C1O
InChi:	InChI=1S/C6H10O5/c7-1-4-6(10)5(9)3(8)2-11-4/h4-7,9-10H,1-2H2/t4-,5-,6-/m1/s1
Definition date:	2009-01-20
Last modified:	2020-07-17
Identifier:	1,5-anhydro-D-fructose

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