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PDB Info pages Status search Chemie search: 44339 results BIRD

IXD

IXD
Name:	4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enopyranuronic acid
Formula:	C6 H8 O9 S
SMILES:	O[CH]1OC(=C[CH](O)[CH]1O[S](O)(=O)=O)C(O)=O
InChi:	InChI=1S/C6H8O9S/c7-2-1-3(5(8)9)14-6(10)4(2)15-16(11,12)13/h1-2,4,6-7,10H,(H,8,9)(H,11,12,13)/t2-,4-,6-/m1/s1
Synonyms:	4-deoxy-2-O-sulfo-beta-D-erythro-hex-4-enuronic acid
Definition date:	2009-08-19
Last modified:	2020-07-17
Identifier:	(2~{R},3~{R},4~{R})-2,4-bis(oxidanyl)-3-sulfooxy-3,4-dihydro-2~{H}-pyran-6-carboxylic acid

8LM

8LM
Name:	2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni c acid
Formula:	C21 H26 N4 O8
SMILES:	C(=O)(NC1C(O)C(=C(C(O)=O)OC1C(C(CO)O)O)n3cc(c2ccccc2)nn3)C(C)C
InChi:	InChI=1S/C21H26N4O8/c1-10(2)20(30)22-14-17(29)15(19(21(31)32)33-18(14)16(28)13(27)9-26)25-8-12(23-24-25)11-6-4-3-5-7-11/h3-8,10,13-14,16-18,26-29H,9H2,1-2H3,(H,22,30)(H,31,32)/t13-,14-,16-,17-,18-/m1/s1
Definition date:	2017-02-15
Last modified:	2020-07-17
Release date:	2018-06-27
Identifier:	2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni c acid

8OQ

8OQ
Name:	alpha-D-aceric acid
Formula:	C6 H10 O6
SMILES:	C[CH]1O[CH](O)[CH](O)[C]1(O)C(O)=O
InChi:	InChI=1S/C6H10O6/c1-2-6(11,5(9)10)3(7)4(8)12-2/h2-4,7-8,11H,1H3,(H,9,10)/t2-,3+,4+,6+/m1/s1
Definition date:	2017-02-14
Last modified:	2020-07-17
Release date:	2017-03-22
Identifier:	(2~{R},3~{R},4~{R},5~{S})-2-methyl-3,4,5-tris(oxidanyl)oxolane-3-carboxylic acid

8PK

8PK
Name:	4-O-[(1R)-1-hydroxyethyl]-2-O-methyl-alpha-L-fucopyranose
Formula:	C9 H18 O6
SMILES:	CO[CH]1[CH](O)O[CH](C)[CH](O[CH](C)O)[CH]1O
InChi:	InChI=1S/C9H18O6/c1-4-7(15-5(2)10)6(11)8(13-3)9(12)14-4/h4-12H,1-3H3/t4-,5+,6+,7+,8-,9+/m0/s1
Synonyms:	2-O-methyl, 4-O-Acetyl-alpha-L-fucosepyranose
Definition date:	2017-02-18
Last modified:	2020-07-17
Release date:	2017-03-22
Identifier:	(2~{R},3~{S},4~{R},5~{S},6~{S})-3-methoxy-6-methyl-5-[(1~{R})-1-oxidanylethoxy]oxane-2,4-diol

8S0

8S0
Name:	L-glucono-1,5-lactone
Formula:	C6 H10 O6
SMILES:	OC[CH]1OC(=O)[CH](O)[CH](O)[CH]1O
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-/m0/s1
Synonyms:	(3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-one
Definition date:	2017-09-07
Last modified:	2020-07-17
Release date:	2018-05-23
Identifier:	(3~{S},4~{R},5~{R},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-one

JFZ

JFZ
Name:	4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside
Formula:	C12 H15 N O7
SMILES:	C[CH]1O[CH](Oc2ccc(cc2)[N+]([O-])=O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C12H15NO7/c1-6-9(14)10(15)11(16)12(19-6)20-8-4-2-7(3-5-8)13(17)18/h2-6,9-12,14-16H,1H3/t6-,9+,10+,11-,12-/m0/s1
Synonyms:	4-nitrophenyl-alpha-L-fucose
Definition date:	2019-02-19
Last modified:	2020-07-17
Release date:	2019-02-27
Identifier:	(2~{S},3~{S},4~{R},5~{S},6~{S})-2-methyl-6-(4-nitrophenoxy)oxane-3,4,5-triol

JHM

JHM
Name:	2-deoxy-6-O-sulfo-alpha-D-glucopyranose
Formula:	C6 H12 O8 S
SMILES:	O=S(=O)(O)OCC1OC(O)CC(O)C1O
InChi:	InChI=1S/C6H12O8S/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H,10,11,12)/t3-,4-,5+,6+/m1/s1
Synonyms:	2-deoxy-6-O-sulfo-alpha-D-arabino-hexopyranose
Definition date:	2010-09-27
Last modified:	2020-07-17
Identifier:	2-deoxy-6-O-sulfo-alpha-D-arabino-hexopyranose

B7G

B7G
Name:	heptyl beta-D-glucopyranoside
Formula:	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
Synonyms:	HEPTYL-BETA-D-GLUCOPYRANOSIDE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	heptyl beta-D-glucopyranoside

B8D

B8D
Name:	4-O-methyl-alpha-D-glucopyranose
Formula:	C7 H14 O6
SMILES:	OC1C(OC)C(OC(O)C1O)CO
InChi:	InChI=1S/C7H14O6/c1-12-6-3(2-8)13-7(11)5(10)4(6)9/h3-11H,2H2,1H3/t3-,4-,5-,6-,7+/m1/s1
Synonyms:	4-O-methyl-alpha-D-glucose
Definition date:	2009-08-18
Last modified:	2020-07-17
Identifier:	4-O-methyl-alpha-D-glucopyranose

BBK

BBK
Name:	2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose
Formula:	C8 H15 N O5 S
SMILES:	C1(O)C(C(O)C(C(S1)CO)O)NC(C)=O
InChi:	InChI=1S/C8H15NO5S/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:	2-(acetylamino)-2-deoxy-5-thio-alpha-D-galactopyranose
Definition date:	2014-04-30
Last modified:	2020-07-17
Release date:	2014-05-28
Identifier:	2-(acetylamino)-2-deoxy-5-thio-alpha-D-galactopyranose

BBV

BBV
Name:	benzyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
Formula:	C15 H21 N O6
SMILES:	O=C(NC2C(O)C(O)C(OC2OCc1ccccc1)CO)C
InChi:	InChI=1S/C15H21NO6/c1-9(18)16-12-14(20)13(19)11(7-17)22-15(12)21-8-10-5-3-2-4-6-10/h2-6,11-15,17,19-20H,7-8H2,1H3,(H,16,18)/t11-,12-,13-,14-,15+/m1/s1
Synonyms:	benzyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside
Definition date:	2012-04-09
Last modified:	2020-07-17
Identifier:	benzyl 2-(acetylamino)-2-deoxy-alpha-D-glucopyranoside

BCD

BCD
Name:	BETA-CYCLODEXTRIN
Formula:	C42 H70 O35
SMILES:	O1C8C(O)C(O)C(OC7C(O)C(O)C(OC6C(O)C(O)C(OC5C(O)C(O)C(OC4C(O)C(O)C(OC3C(O)C(O)C(OC2C(OC1C(O)C2O)CO)OC3CO)OC4CO)OC5CO)OC6CO)OC7CO)OC8CO
InChi:	InChI=1S/C42H70O35/c43-1-8-29-15(50)22(57)36(64-8)72-30-9(2-44)66-38(24(59)17(30)52)74-32-11(4-46)68-40(26(61)19(32)54)76-34-13(6-48)70-42(28(63)21(34)56)77-35-14(7-49)69-41(27(62)20(35)55)75-33-12(5-47)67-39(25(60)18(33)53)73-31-10(3-45)65-37(71-29)23(58)16(31)51/h8-63H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,42-/m1/s1
Synonyms:	CYCLO-HEPTA-AMYLOSE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	(1S,3R,5R,6S,8R,10R,11S,13R,15R,16S,18R,20R,21S,23R,25R,26S,28R,30R,31S,33R,35R,36R,37R,38R,39R,40R,41R,42R,43R,44R,45R,46R,47R,48R,49R)-5,10,15,20,25,30,35-heptakis(hydroxymethyl)-2,4,7,9,12,14,17,19,22,24,27,29,32,34-tetradecaoxaoctacyclo[31.2.2.2~3,6~.2~8,11~.2~13,16~.2~18,21~.2~23,26~.2~28,31~]nonatetracontane-36,37,38,39,40,41,42,43,44,45,46,47,48,49-tetradecol (non-preferred name)

BCW

BCW
Name:	6-deoxy-alpha-L-galactopyranosyl-(1->4)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)]-2-(ace tylamino)-2-deoxy-alpha-D-glucopyranose
Formula:	C26 H45 N O19
SMILES:	C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O[CH]3[CH](NC(C)=O)[CH](O)O[CH](CO)[CH]3O[CH]4O[CH](C)[CH](O)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C26H45NO19/c1-6-12(31)15(34)18(37)24(40-6)44-20-10(5-29)42-23(39)11(27-8(3)30)21(20)45-26-22(17(36)14(33)9(4-28)43-26)46-25-19(38)16(35)13(32)7(2)41-25/h6-7,9-26,28-29,31-39H,4-5H2,1-3H3,(H,27,30)/t6-,7-,9+,10+,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+,21+,22+,23-,24-,25-,26-/m0/s1
Definition date:	2010-01-26
Last modified:	2020-07-17
Identifier:	N-[(2S,3R,4R,5S,6R)-4-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-5-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-3-yl]ethanamide

BDG

BDG
Name:	2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose
Formula:	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+/m1/s1
Synonyms:	O-2,6-DIAMINO-2,6-DIDEOXY-ALPHA-D-GLUCOPYRANOSE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2,6-diamino-2,6-dideoxy-alpha-D-glucopyranose

BDR

BDR
Name:	beta-D-ribofuranose
Formula:	C5 H10 O5
SMILES:	OC1C(OC(O)C1O)CO
InChi:	InChI=1S/C5H10O5/c6-1-2-3(7)4(8)5(9)10-2/h2-9H,1H2/t2-,3-,4-,5-/m1/s1
Synonyms:	beta-D-ribose
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	beta-D-ribofuranose

BDZ

BDZ
Name:	6-deoxy-alpha-L-galactopyranosyl-(1->3)-[6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)]-2-(ace tylamino)-2-deoxy-beta-D-glucopyranose
Formula:	C26 H45 N O19
SMILES:	C[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](CO)O[CH]2O[CH]3[CH](CO)O[CH](O)[CH](NC(C)=O)[CH]3O[CH]4O[CH](C)[CH](O)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C26H45NO19/c1-6-12(31)15(34)18(37)24(40-6)45-21-11(27-8(3)30)23(39)42-10(5-29)20(21)44-26-22(17(36)14(33)9(4-28)43-26)46-25-19(38)16(35)13(32)7(2)41-25/h6-7,9-26,28-29,31-39H,4-5H2,1-3H3,(H,27,30)/t6-,7-,9+,10+,11+,12+,13+,14-,15+,16+,17-,18-,19-,20+,21+,22+,23+,24-,25-,26-/m0/s1
Definition date:	2010-01-26
Last modified:	2020-07-17
Identifier:	N-[(2R,3R,4R,5S,6R)-5-[(2S,3R,4S,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-2-yl]oxy-2-hydroxy-6-(hydroxymethyl)-4-[(2S,3S,4R,5S,6S)-3,4,5-trihydroxy-6-methyl-oxan-2-yl]oxy-oxan-3-yl]ethanamide

BEM

BEM
Name:	beta-D-mannopyranuronic acid
Formula:	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
Synonyms:	beta-D-mannuronic acid
Definition date:	2007-11-05
Last modified:	2020-07-17
Identifier:	beta-D-mannopyranuronic acid

BG6

BG6
Name:	6-O-phosphono-beta-D-glucopyranose
Formula:	C6 H13 O9 P
SMILES:	O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
InChi:	InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
Synonyms:	BETA-D-GLUCOSE-6-PHOSPHATE
Definition date:	2000-08-29
Last modified:	2020-07-17
Identifier:	6-O-phosphono-beta-D-glucopyranose

BG8

BG8
Name:	2-(benzoylamino)-2-deoxy-beta-D-glucopyranose
Formula:	C13 H17 N O6
SMILES:	C2(C(NC(c1ccccc1)=O)C(OC(C2O)CO)O)O
InChi:	InChI=1S/C13H17NO6/c15-6-8-10(16)11(17)9(13(19)20-8)14-12(18)7-4-2-1-3-5-7/h1-5,8-11,13,15-17,19H,6H2,(H,14,18)/t8-,9-,10-,11-,13-/m1/s1
Synonyms:	N-benzoyl-beta-D-glucosamine
Definition date:	2015-06-02
Last modified:	2020-07-17
Release date:	2015-06-17
Identifier:	2-(benzoylamino)-2-deoxy-beta-D-glucopyranose

BGL

BGL
Name:	2-O-octyl-beta-D-glucopyranose
Formula:	C14 H28 O6
SMILES:	O(CCCCCCCC)C1C(O)C(O)C(OC1O)CO
InChi:	InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-13-12(17)11(16)10(9-15)20-14(13)18/h10-18H,2-9H2,1H3/t10-,11-,12+,13-,14-/m1/s1
Synonyms:	2-O-octyl-beta-D-glucose
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2-O-octyl-beta-D-glucopyranose

BGN

BGN
Name:	2-(butanoylamino)-2-deoxy-beta-D-glucopyranose
Formula:	C10 H19 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)CCC
InChi:	InChI=1S/C10H19NO6/c1-2-3-6(13)11-7-9(15)8(14)5(4-12)17-10(7)16/h5,7-10,12,14-16H,2-4H2,1H3,(H,11,13)/t5-,7-,8-,9-,10-/m1/s1
Synonyms:	N-BUTANOYL-2-AMINO-2-DEOXY-GLUCOPYRANOSIDE
Definition date:	2001-07-31
Last modified:	2020-07-17
Identifier:	2-(butanoylamino)-2-deoxy-beta-D-glucopyranose

BGP

BGP
Name:	6-O-phosphono-beta-D-galactopyranose
Formula:	C6 H13 O9 P
SMILES:	O=P(O)(O)OCC1OC(O)C(O)C(O)C1O
InChi:	InChI=1S/C6H13O9P/c7-3-2(1-14-16(11,12)13)15-6(10)5(9)4(3)8/h2-10H,1H2,(H2,11,12,13)/t2-,3+,4+,5-,6-/m1/s1
Synonyms:	BETA-GALACTOSE-6-PHOSPHATE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	6-O-phosphono-beta-D-galactopyranose

BHG

BHG
Name:	hexyl beta-D-galactopyranoside
Formula:	C12 H24 O6
SMILES:	O(CCCCCC)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C12H24O6/c1-2-3-4-5-6-17-12-11(16)10(15)9(14)8(7-13)18-12/h8-16H,2-7H2,1H3/t8-,9+,10+,11-,12-/m1/s1
Synonyms:	2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,4,5-TRIOL
Definition date:	2000-10-11
Last modified:	2020-07-17
Identifier:	hexyl beta-D-galactopyranoside

I57

I57
Name:	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
Formula:	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
Synonyms:	(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
Definition date:	2016-07-21
Last modified:	2020-07-17
Release date:	2017-07-12
Identifier:	(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

IAB

IAB
Name:	ISO-ACARBOSE
Formula:	C25 H43 N O18
SMILES:	O(CC1OC(O)C(O)C(O)C1O)C4OC(C(OC3OC(C)C(NC2C=C(CO)C(O)C(O)C2O)C(O)C3O)C(O)C4O)CO
InChi:	InChI=1S/C25H43NO18/c1-6-11(26-8-2-7(3-27)12(29)16(33)13(8)30)15(32)20(37)25(41-6)44-22-9(4-28)43-24(21(38)18(22)35)40-5-10-14(31)17(34)19(36)23(39)42-10/h2,6,8-39H,3-5H2,1H3/t6-,8+,9-,10-,11-,12-,13+,14-,15+,16+,17+,18-,19-,20-,21-,22-,23-,24+,25-/m1/s1
Synonyms:	4,6-DIDEOXY-4-{[4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}-ALPHA-D-LYXO-HEXOPYRANOSYL-(1->4)-ALPHA-D-T HREO-HEXOPYRANOSYL-(1->6)-ALPHA-L-THREO-HEXOPYRANOSE
Definition date:	2004-09-15
Last modified:	2020-07-17
Identifier:	4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->6)-beta-D-glucopyranose

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245663

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