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PDB Info pages Status search Chemie search: 908 results BIRD

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

MSX

MSX
Name:	methyl 1,6-dithio-alpha-D-mannopyranoside
Formula:	C7 H14 O4 S2
SMILES:	OC1C(O)C(O)C(OC1SC)CS
InChi:	InChI=1S/C7H14O4S2/c1-13-7-6(10)5(9)4(8)3(2-12)11-7/h3-10,12H,2H2,1H3/t3-,4-,5+,6+,7-/m1/s1
Synonyms:	1,6-DIDEOXY-DITHIO-METHYL-ALPHA-D-MANNOSE
Definition date:	2014-10-27
Last modified:	2020-07-17
Release date:	2015-03-25
Identifier:	methyl 1,6-dithio-alpha-D-mannopyranoside

1S3

1S3
Name:	(2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)tetrahydro-3aH-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide
Formula:	C6 H11 O8 P
SMILES:	O=P1(OC2C(O)C(O)C(OC2O1)CO)O
InChi:	InChI=1S/C6H11O8P/c7-1-2-3(8)4(9)5-6(12-2)14-15(10,11)13-5/h2-9H,1H2,(H,10,11)/t2-,3-,4+,5-,6-/m1/s1
Synonyms:	Glucose1,2cyclic phosphate
Definition date:	2013-05-15
Last modified:	2020-07-17
Release date:	2013-12-11
Identifier:	(2R,3aR,5R,6S,7S,7aR)-5-(hydroxymethyl)tetrahydro-3aH-[1,3,2]dioxaphospholo[4,5-b]pyran-2,6,7-triol 2-oxide

1S4

1S4
Name:	alpha-muramic acid
Formula:	C9 H17 N O7
SMILES:	O=C(O)C(OC1C(O)C(OC(O)C1N)CO)C
InChi:	InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9+/m1/s1
Synonyms:	muramic acid
Definition date:	2013-05-15
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	2-amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-alpha-D-glucopyranose

1SD

1SD
Name:	(1S)-1,5-anhydro-1-sulfamoyl-D-galactitol
Formula:	C6 H13 N O7 S
SMILES:	O=S(=O)(N)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C6H13NO7S/c7-15(12,13)6-5(11)4(10)3(9)2(1-8)14-6/h2-6,8-11H,1H2,(H2,7,12,13)/t2-,3+,4+,5-,6+/m1/s1
Synonyms:	(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxane-2-sulfonamide
Definition date:	2009-06-02
Last modified:	2020-07-17
Identifier:	(1S)-1,5-anhydro-1-sulfamoyl-D-galactitol

MUR

MUR
Name:	beta-muramic acid
Formula:	C9 H17 N O7
SMILES:	O=C(O)C(OC1C(O)C(OC(O)C1N)CO)C
InChi:	InChI=1S/C9H17NO7/c1-3(8(13)14)16-7-5(10)9(15)17-4(2-11)6(7)12/h3-7,9,11-12,15H,2,10H2,1H3,(H,13,14)/t3-,4-,5-,6-,7-,9-/m1/s1
Synonyms:	muramic acid
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2-amino-3-O-[(1R)-1-carboxyethyl]-2-deoxy-beta-D-glucopyranose

MXY

MXY
Name:	2-O-methyl-beta-L-fucopyranose
Formula:	C7 H14 O5
SMILES:	O(C)C1C(O)C(O)C(OC1O)C
InChi:	InChI=1S/C7H14O5/c1-3-4(8)5(9)6(11-2)7(10)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7-/m0/s1
Synonyms:	2-O-METHYL FUCOSE
Definition date:	1999-11-08
Last modified:	2020-07-17
Identifier:	6-deoxy-2-O-methyl-beta-L-galactopyranose

MXZ

MXZ
Name:	2-O-methyl-alpha-L-fucopyranose
Formula:	C7 H14 O5
SMILES:	O(C)C1C(O)C(O)C(OC1O)C
InChi:	InChI=1S/C7H14O5/c1-3-4(8)5(9)6(11-2)7(10)12-3/h3-10H,1-2H3/t3-,4+,5+,6-,7+/m0/s1
Synonyms:	6-DEOXY-2-O-METHYL-ALPHA-L-GALACTOPYRANOSE
Definition date:	2003-04-15
Last modified:	2020-07-17
Identifier:	6-deoxy-2-O-methyl-alpha-L-galactopyranose

1X4

1X4
Name:	2,3-dideoxy-5-O-phosphono-alpha-D-ribofuranose
Formula:	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
Synonyms:	2,3-dideoxyribose-5-phosphate
Definition date:	2013-07-22
Last modified:	2020-07-17
Release date:	2013-07-31
Identifier:	[(2S,5S)-5-hydroxytetrahydrofuran-2-yl]methyl dihydrogen phosphate

MYG

MYG
Name:	(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside
Formula:	C12 H23 N O10
SMILES:	O(C1C(O)C(O)C(O)C(O)C1O)C2OC(C(O)C(O)C2N)CO
InChi:	InChI=1S/C12H23NO10/c13-3-5(16)4(15)2(1-14)22-12(3)23-11-9(20)7(18)6(17)8(19)10(11)21/h2-12,14-21H,1,13H2/t2-,3-,4-,5-,6-,7-,8-,9+,10-,11-,12-/m1/s1
Synonyms:	GLUCOSAMINYL-(ALPHA-6)-D-MYO-INOSITOL
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	(1R,2R,3R,4R,5R,6S)-2,3,4,5,6-pentahydroxycyclohexyl 2-amino-2-deoxy-alpha-D-glucopyranoside

20X

20X
Name:	N-({(2E)-2-[(4-fluorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Formula:	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
Synonyms:	4-fluorobenzaldehyde-4-(beta-D-glucopyranosyl)-thiosemicarbazone
Definition date:	2010-04-30
Last modified:	2020-07-17
Identifier:	N-{[(2E)-2-(4-fluorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine

22O

22O
Name:	N-({(2E)-2-[(3-bromophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Formula:	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
Synonyms:	3-bromobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
Definition date:	2010-05-03
Last modified:	2020-07-17
Identifier:	N-{[(2E)-2-(3-bromobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine

22S

22S
Name:	N-({(2E)-2-[(2-chlorophenyl)methylidene]hydrazino}carbonothioyl)-beta-D-glucopyranosylamine
Formula:	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
Synonyms:	2-chlorobenzaldehyde-4-(beta-D-glucopyranosyl) thiosemicarbazone
Definition date:	2010-04-30
Last modified:	2020-07-17
Identifier:	N-{[(2E)-2-(2-chlorobenzylidene)hydrazinyl]carbothioyl}-beta-D-glucopyranosylamine

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

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

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

R1P

R1P
Name:	1-O-phosphono-alpha-D-ribofuranose
Formula:	C5 H11 O8 P
SMILES:	O=P(OC1OC(C(O)C1O)CO)(O)O
InChi:	InChI=1S/C5H11O8P/c6-1-2-3(7)4(8)5(12-2)13-14(9,10)11/h2-8H,1H2,(H2,9,10,11)/t2-,3-,4-,5-/m1/s1
Synonyms:	RIBOSE-1-PHOSPHATE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	1-O-phosphono-alpha-D-ribofuranose

R1X

R1X
Name:	1,4-anhydro-D-ribitol
Formula:	C5 H10 O4
SMILES:	OCC1OCC(O)C1O
InChi:	InChI=1S/C5H10O4/c6-1-4-5(8)3(7)2-9-4/h3-8H,1-2H2/t3-,4+,5-/m0/s1
Synonyms:	1-deoxyribose
Definition date:	2008-10-03
Last modified:	2020-07-17
Identifier:	1,4-anhydro-D-ribitol

R2B

R2B
Name:	1,4-anhydro-D-erythro-pent-1-enitol
Formula:	C5 H8 O4
SMILES:	OC1=COC(CO)C1O
InChi:	InChI=1S/C5H8O4/c6-1-4-5(8)3(7)2-9-4/h2,4-8H,1H2/t4-,5+/m1/s1
Definition date:	2005-05-11
Last modified:	2020-07-17
Identifier:	1,4-anhydro-D-erythro-pent-1-enitol

R2G

R2G
Name:	2,5-anhydro-4-deoxy-D-erythro-pent-4-enitol
Formula:	C5 H8 O3
SMILES:	OC[CH]1OC=C[CH]1O
InChi:	InChI=1S/C5H8O3/c6-3-5-4(7)1-2-8-5/h1-2,4-7H,3H2/t4-,5+/m1/s1
Definition date:	2009-12-09
Last modified:	2020-07-17
Identifier:	(2~{S},3~{R})-2-(hydroxymethyl)-2,3-dihydrofuran-3-ol

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)

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