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PDB Info pages Status search Chemie search: 908 results BIRD

5TM

5TM
Name:	[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate
Formula:	C6 H12 O10 S2
SMILES:	OC[CH]1O[CH](O)[CH](O[S](O)(=O)=O)[CH](OSO)[CH]1O
InChi:	InChI=1S/C6H12O10S2/c7-1-2-3(8)4(15-17-10)5(6(9)14-2)16-18(11,12)13/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
Synonyms:	[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate
Definition date:	2015-11-28
Last modified:	2020-07-17
Release date:	2016-11-02
Identifier:	[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-2,5-bis(oxidanyl)-4-oxidanylsulfanyloxy-oxan-3-yl] hydrogen sulfate

DYM

DYM
Name:	(2R)-2,3-dihydroxypropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid
Formula:	C11 H17 N O8
SMILES:	C(C1=CC(C(C(O1)OCC(CO)O)NC(C)=O)O)(=O)O
InChi:	InChI=1S/C11H17NO8/c1-5(14)12-9-7(16)2-8(10(17)18)20-11(9)19-4-6(15)3-13/h2,6-7,9,11,13,15-16H,3-4H2,1H3,(H,12,14)(H,17,18)/t6-,7+,9-,11-/m1/s1
Synonyms:	6-(2,3-DIHYDROXYPROPOXY)-5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-4H-PYRAN-2-CARBOXYLIC ACID
Definition date:	2005-11-28
Last modified:	2020-07-17
Identifier:	(2R)-2,3-dihydroxypropyl 2-(acetylamino)-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid

E3M

E3M
Name:	(1R)-4-acetamido-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol
Formula:	C10 H20 N2 O8 S
SMILES:	C1(OC(C(C(C1)N)NC(C)=O)C(C(CO)O)O)S(O)(=O)=O
InChi:	InChI=1S/C10H20N2O8S/c1-4(14)12-8-5(11)2-7(21(17,18)19)20-10(8)9(16)6(15)3-13/h5-10,13,15-16H,2-3,11H2,1H3,(H,12,14)(H,17,18,19)/t5-,6+,7+,8+,9+,10+/m0/s1
Synonyms:	(1R)-4-(acetylamino)-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol
Definition date:	2017-11-30
Last modified:	2020-07-17
Release date:	2018-03-07
Identifier:	(1R)-4-(acetylamino)-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol

E5G

E5G
Name:	5-hydroxypentyl alpha-D-glucopyranoside
Formula:	C11 H22 O7
SMILES:	O(CCCCCO)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C11H22O7/c12-4-2-1-3-5-17-11-10(16)9(15)8(14)7(6-13)18-11/h7-16H,1-6H2/t7-,8-,9+,10-,11+/m1/s1
Synonyms:	5-hydroxypentyl alpha-D-glucoside
Definition date:	2012-01-11
Last modified:	2020-07-17
Identifier:	5-hydroxypentyl alpha-D-glucopyranoside

491

491
Name:	2-acetamido-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose
Formula:	C11 H20 N O11 P
SMILES:	O=C(O)C(OC1C(O)C(OC(OP(=O)(O)O)C1NC(=O)C)CO)C
InChi:	InChI=1S/C11H20NO11P/c1-4(10(16)17)21-9-7(12-5(2)14)11(23-24(18,19)20)22-6(3-13)8(9)15/h4,6-9,11,13,15H,3H2,1-2H3,(H,12,14)(H,16,17)(H2,18,19,20)/t4-,6-,7-,8-,9-,11-/m1/s1
Synonyms:	2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose
Definition date:	2015-02-16
Last modified:	2020-07-17
Release date:	2015-03-18
Identifier:	2-(acetylamino)-3-O-[(1R)-1-carboxyethyl]-2-deoxy-1-O-phosphono-alpha-D-glucopyranose

49A

49A
Name:	4,9-AMINO-2,4-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
Formula:	C11 H19 N3 O6
SMILES:	O=C(O)C=1OC(C(O)C(O)CN)C(NC(=O)C)C(C=1)N
InChi:	InChI=1S/C11H19N3O6/c1-4(15)14-8-5(13)2-7(11(18)19)20-10(8)9(17)6(16)3-12/h2,5-6,8-10,16-17H,3,12-13H2,1H3,(H,14,15)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
Definition date:	2000-07-26
Last modified:	2020-07-17
Identifier:	5-(acetylamino)-4,9-diamino-2,6-anhydro-3,4,5,9-tetradeoxy-D-glycero-D-galacto-non-2-enonic acid

49S

49S
Name:	2-acetamido-2-deoxy-beta-D-mannopyranuronic acid
Formula:	C8 H13 N O7
SMILES:	O=C(O)C1OC(O)C(NC(=O)C)C(O)C1O
InChi:	InChI=1S/C8H13NO7/c1-2(10)9-3-4(11)5(12)6(7(13)14)16-8(3)15/h3-6,8,11-12,15H,1H3,(H,9,10)(H,13,14)/t3-,4+,5-,6-,8+/m0/s1
Synonyms:	2-(acetylamino)-2-deoxy-beta-D-mannopyranuronic acid
Definition date:	2015-02-18
Last modified:	2020-07-17
Release date:	2017-02-01
Identifier:	2-(acetylamino)-2-deoxy-beta-D-mannopyranuronic acid

49T

49T
Name:	2-acetamido-2-deoxy-alpha-D-fucopyranose
Formula:	C8 H15 N O5
SMILES:	O=C(NC1C(O)C(O)C(OC1O)C)C
InChi:	InChI=1S/C8H15NO5/c1-3-6(11)7(12)5(8(13)14-3)9-4(2)10/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7-,8+/m1/s1
Synonyms:	2-acetamido-2,6-deoxy-alpha-D-galactopyranose
Definition date:	2015-02-18
Last modified:	2020-07-17
Release date:	2017-02-01
Identifier:	2-(acetylamino)-2,6-dideoxy-alpha-D-galactopyranose

49V

49V
Name:	2-acetamido-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid
Formula:	C8 H11 N O6
SMILES:	O=C(O)C=1OC(O)C(NC(=O)C)C(O)C=1
InChi:	InChI=1S/C8H11NO6/c1-3(10)9-6-4(11)2-5(7(12)13)15-8(6)14/h2,4,6,8,11,14H,1H3,(H,9,10)(H,12,13)/t4-,6-,8?/m0/s1
Synonyms:	2-(acetylamino)-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid
Definition date:	2015-02-18
Last modified:	2020-07-17
Release date:	2017-02-01
Identifier:	2-(acetylamino)-2,4-dideoxy-alpha-L-erythro-hex-4-enopyranuronic acid

4AM

4AM
Name:	4-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
Formula:	C11 H18 N2 O7
SMILES:	O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(C=1)N
InChi:	InChI=1S/C11H18N2O7/c1-4(15)13-8-5(12)2-7(11(18)19)20-10(8)9(17)6(16)3-14/h2,5-6,8-10,14,16-17H,3,12H2,1H3,(H,13,15)(H,18,19)/t5-,6+,8+,9+,10+/m0/s1
Synonyms:	4-amino-Neu5Ac2en
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	5-(acetylamino)-4-amino-2,6-anhydro-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic acid

4GL

4GL
Name:	alpha-D-gulopyranose
Formula:	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+/m1/s1
Synonyms:	alpha-D-gulose
Definition date:	2011-08-18
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	alpha-D-gulopyranose

4GP

4GP
Name:	N-(carboxycarbonyl)-beta-D-glucopyranosylamine
Formula:	C8 H13 N O8
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)O
InChi:	InChI=1S/C8H13NO8/c10-1-2-3(11)4(12)5(13)7(17-2)9-6(14)8(15)16/h2-5,7,10-13H,1H2,(H,9,14)(H,15,16)/t2-,3-,4+,5-,7-/m1/s1
Synonyms:	N-(BETA-D-GLUCOPYRANOSYL)OXAMIC ACID
Definition date:	2006-01-24
Last modified:	2020-07-17
Identifier:	N-(carboxycarbonyl)-beta-D-glucopyranosylamine

4JA

4JA
Name:	(2S)-3-[(6-deoxy-beta-D-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate
Formula:	C9 H19 O10 P
SMILES:	P(OCC(COC1OC(C(O)C(O)C1O)C)O)(=O)(O)O
InChi:	InChI=1S/C9H19O10P/c1-4-6(11)7(12)8(13)9(19-4)17-2-5(10)3-18-20(14,15)16/h4-13H,2-3H2,1H3,(H2,14,15,16)/t4-,5+,6-,7+,8-,9-/m1/s1
Synonyms:	(2S)-3-[(6-deoxy-beta-D-glucosyl)oxy]-2-hydroxypropyl dihydrogen phosphate
Definition date:	2015-11-23
Last modified:	2020-07-17
Release date:	2016-08-31
Identifier:	(2S)-3-[(6-deoxy-beta-D-glucopyranosyl)oxy]-2-hydroxypropyl dihydrogen phosphate

4NN

4NN
Name:	N-[(5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-oxo-5,6-dihydro-2H-pyran-3-yl]acetamide
Formula:	C8 H11 N O5
SMILES:	O=C1OC(CO)C(O)C=C1NC(=O)C
InChi:	InChI=1S/C8H11NO5/c1-4(11)9-5-2-6(12)7(3-10)14-8(5)13/h2,6-7,10,12H,3H2,1H3,(H,9,11)/t6-,7+/m0/s1
Definition date:	2011-06-08
Last modified:	2020-07-17
Identifier:	N-[(5S,6R)-5-hydroxy-6-(hydroxymethyl)-2-oxo-5,6-dihydro-2H-pyran-3-yl]acetamide (non-preferred name)

EAG

EAG
Name:	2-aminoethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Formula:	C10 H20 N2 O6
SMILES:	O=C(NC1C(O)C(O)C(OC1OCCN)CO)C
InChi:	InChI=1S/C10H20N2O6/c1-5(14)12-7-9(16)8(15)6(4-13)18-10(7)17-3-2-11/h6-10,13,15-16H,2-4,11H2,1H3,(H,12,14)/t6-,7-,8-,9-,10-/m1/s1
Synonyms:	2-aminoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
Definition date:	2008-01-23
Last modified:	2020-07-17
Identifier:	2-aminoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside

EBG

EBG
Name:	2-[(2S)-oxiran-2-yl]ethyl alpha-D-glucopyranoside
Formula:	C10 H18 O7
SMILES:	O(CCC1OC1)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C10H18O7/c11-3-6-7(12)8(13)9(14)10(17-6)15-2-1-5-4-16-5/h5-14H,1-4H2/t5-,6+,7+,8-,9+,10-/m0/s1
Synonyms:	2-HYDROXYMETHYL-6-(2-OXIRANYL-ETHOXY)-TETRAHYDRO-PYRAN-3,4,5-TRIOL
Definition date:	2002-11-28
Last modified:	2020-07-17
Identifier:	2-[(2S)-oxiran-2-yl]ethyl alpha-D-glucopyranoside

EGA

EGA
Name:	ethyl beta-D-galactopyranoside
Formula:	C8 H16 O6
SMILES:	O(CC)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C8H16O6/c1-2-13-8-7(12)6(11)5(10)4(3-9)14-8/h4-12H,2-3H2,1H3/t4-,5+,6+,7-,8-/m1/s1
Synonyms:	ethyl beta-D-galactoside
Definition date:	2014-05-22
Last modified:	2020-07-17
Release date:	2014-06-18
Identifier:	ethyl beta-D-galactopyranoside

EMP

EMP
Name:	2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentopyranose
Formula:	C8 H17 N O3
SMILES:	O(C)C1C(NCC)COC(O)C1
InChi:	InChI=1S/C8H17NO3/c1-3-9-6-5-12-8(10)4-7(6)11-2/h6-10H,3-5H2,1-2H3/t6-,7-,8+/m0/s1
Synonyms:	2,4-DIDEOXY-4-(ETHYLAMINO)-3-O-METHYL ALPHA-L-THREO-PENTOPYRANOSIDE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2,4-dideoxy-4-(ethylamino)-3-O-methyl-alpha-L-threo-pentopyranose

EMZ

EMZ
Name:	6-O-methyl-beta-D-galactopyranose
Formula:	C7 H14 O6
SMILES:	COC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C7H14O6/c1-12-2-3-4(8)5(9)6(10)7(11)13-3/h3-11H,2H2,1H3/t3-,4+,5+,6-,7-/m1/s1
Synonyms:	6-O-Methyl-D-galactopyranose
Definition date:	2018-04-02
Last modified:	2020-07-17
Release date:	2018-11-21
Identifier:	(2~{R},3~{R},4~{S},5~{R},6~{R})-6-(methoxymethyl)oxane-2,3,4,5-tetrol

EQP

EQP
Name:	(1R)-4-acetamido-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol
Formula:	C10 H20 N O9 P
SMILES:	O=P(O)(O)C1OC(C(NC(=O)C)C(O)C1)C(O)C(O)CO
InChi:	InChI=1S/C10H20NO9P/c1-4(13)11-8-5(14)2-7(21(17,18)19)20-10(8)9(16)6(15)3-12/h5-10,12,14-16H,2-3H2,1H3,(H,11,13)(H2,17,18,19)/t5-,6+,7+,8+,9+,10+/m0/s1
Synonyms:	(4-ACETAMIDO-2,4-DIDEOXY-D-GLYCERO-ALPHA-D-GALACTO-1-OCTOPYRANOSYL)PHOSPHONIC ACID
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	(1R)-4-(acetylamino)-1,5-anhydro-2,4-dideoxy-1-phosphono-D-glycero-D-galacto-octitol

EQV

EQV
Name:	Loganic acid
Formula:	C16 H24 O10
SMILES:	CC1C(CC2C(=COC(C12)OC3C(C(C(C(O3)CO)O)O)O)C(=O)O)O
InChi:	InChI=1S/C16H24O10/c1-5-8(18)2-6-7(14(22)23)4-24-15(10(5)6)26-16-13(21)12(20)11(19)9(3-17)25-16/h4-6,8-13,15-21H,2-3H2,1H3,(H,22,23)/t5-,6+,8-,9+,10+,11+,12-,13+,15-,16-/m0/s1
Synonyms:	(1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxyl ic acid
Definition date:	2018-01-29
Last modified:	2020-07-17
Release date:	2018-02-07
Identifier:	(1S,4aS,6S,7R,7aS)-1-(beta-D-glucopyranosyloxy)-6-hydroxy-7-methyl-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxyl ic acid

ERI

ERI
Name:	3-C-methyl-4-O-acetyl-alpha-L-Olivopyranose
Formula:	C9 H16 O5
SMILES:	O=C(OC1C(OC(O)CC1(O)C)C)C
InChi:	InChI=1S/C9H16O5/c1-5-8(14-6(2)10)9(3,12)4-7(11)13-5/h5,7-8,11-12H,4H2,1-3H3/t5-,7+,8-,9-/m0/s1
Synonyms:	4-O-ACETYL-2,6-DIDEOXY-3-C-METHYL-BETA-L-ARABINO-HEXOPYRANOSE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	4-O-acetyl-2,6-dideoxy-3-C-methyl-alpha-L-arabino-hexopyranose

ETT

ETT
Name:	5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic acid
Formula:	C21 H27 N O8
SMILES:	O=C(O)C=1OC(C(O)C(O)CO)C(NC(=O)C)C(O)C=1CC=Cc2ccc(cc2)C
InChi:	InChI=1S/C21H27NO8/c1-11-6-8-13(9-7-11)4-3-5-14-17(26)16(22-12(2)24)20(18(27)15(25)10-23)30-19(14)21(28)29/h3-4,6-9,15-18,20,23,25-27H,5,10H2,1-2H3,(H,22,24)(H,28,29)/b4-3+/t15-,16-,17+,18-,20-/m1/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic acid
Definition date:	2010-11-24
Last modified:	2020-07-17
Identifier:	5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic acid

F1P

F1P
Name:	1-O-phosphono-beta-D-fructopyranose
Formula:	C6 H13 O9 P
SMILES:	O=P(O)(O)OCC1(O)OCC(O)C(O)C1O
InChi:	InChI=1S/C6H13O9P/c7-3-1-14-6(10,5(9)4(3)8)2-15-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
Synonyms:	BETA-D-FRUCTOPYRANOSE-1-PHOSPHATE
Definition date:	2006-02-28
Last modified:	2020-07-17
Identifier:	1-O-phosphono-beta-D-fructopyranose

F1X

F1X
Name:	1-O-phosphono-beta-D-fructofuranose
Formula:	C6 H13 O9 P
SMILES:	O=P(OCC1(O)OC(C(O)C1O)CO)(O)O
InChi:	InChI=1S/C6H13O9P/c7-1-3-4(8)5(9)6(10,15-3)2-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4-,5+,6-/m1/s1
Synonyms:	beta D-Fructose 1-phosphate
Definition date:	2010-08-04
Last modified:	2020-07-17
Identifier:	1-O-phosphono-beta-D-fructofuranose

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