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PDB Info pages Status search Chemie search: 36733 results BIRD

L3W

L3W
Name:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[[(1~{E},3~{Z})-5-azanyl-4-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-methanoyl-amino]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate
Formula:	C21 H29 N7 O16 P2
SMILES:	NC(=O)C(O)=CC=CN(C=O)[CH]1O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)[CH](O)[CH]1O
InChi:	InChI=1S/C21H29N7O16P2/c22-17-12-19(25-6-24-17)28(7-26-12)21-16(34)14(32)11(43-21)5-41-46(38,39)44-45(36,37)40-4-10-13(31)15(33)20(42-10)27(8-29)3-1-2-9(30)18(23)35/h1-3,6-8,10-11,13-16,20-21,30-34H,4-5H2,(H2,23,35)(H,36,37)(H,38,39)(H2,22,24,25)/b3-1+,9-2-/t10-,11-,13-,14-,15-,16-,20-,21-/m1/s1
Definition date:	2019-07-18
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-[[(1~{E},3~{Z})-5-azanyl-4-oxidanyl-5-oxidanylidene-penta-1,3-dienyl]-methanoyl-amino]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate

3LJ

3LJ
Name:	2-amino-2-deoxy-6-O-sulfo-alpha-D-glucopyranose
Formula:	C6 H13 N O8 S
SMILES:	O=S(=O)(O)OCC1OC(O)C(N)C(O)C1O
InChi:	InChI=1S/C6H13NO8S/c7-3-5(9)4(8)2(15-6(3)10)1-14-16(11,12)13/h2-6,8-10H,1,7H2,(H,11,12,13)/t2-,3-,4-,5-,6+/m1/s1
Synonyms:	N-acetyl-6-O-sulfo-alpha-D-glucosamine
Definition date:	2014-09-12
Last modified:	2020-07-17
Release date:	2014-11-05
Identifier:	2-amino-2-deoxy-6-O-sulfo-alpha-D-glucopyranose

TCB

TCB
Name:	THIOCELLOBIOSE
Formula:	C12 H22 O10 S
SMILES:	S(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C12H22O10S/c13-1-3-5(15)6(16)9(19)12(22-3)23-10-4(2-14)21-11(20)8(18)7(10)17/h3-20H,1-2H2/t3-,4-,5-,6+,7-,8-,9-,10-,11-,12+/m1/s1
Definition date:	2001-04-16
Last modified:	2020-07-17
Identifier:	4-S-beta-D-glucopyranosyl-4-thio-beta-D-glucopyranose

TCG

TCG
Name:	2-deoxy-2-(trimethylammonio)-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acety lamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
Formula:	C33 H59 N4 O20
SMILES:	O=C(NC4C(O)C(OC3OC(CO)C(OC2OC(C(OC1OC(C(O)C(O)C1[N+](C)(C)C)CO)C(O)C2NC(=O)C)CO)C(O)C3NC(=O)C)C(OC4O)CO)C
InChi:	InChI=1S/C33H58N4O20/c1-11(42)34-18-23(46)27(15(8-39)51-30(18)50)55-31-19(35-12(2)43)24(47)28(16(9-40)53-31)56-32-20(36-13(3)44)25(48)29(17(10-41)54-32)57-33-21(37(4,5)6)26(49)22(45)14(7-38)52-33/h14-33,38-41,45-50H,7-10H2,1-6H3,(H2-,34,35,36,42,43,44)/p+1/t14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-,31+,32+,33+/m1/s1
Synonyms:	TMG-chitotriomycin
Definition date:	2012-06-14
Last modified:	2020-07-17
Release date:	2013-01-11
Identifier:	2-deoxy-2-(trimethylammonio)-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose

TDG

TDG
Name:	THIODIGALACTOSIDE
Formula:	C12 H22 O10 S
SMILES:	O2C(SC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)C2CO
InChi:	InChI=1S/C12H22O10S/c13-1-3-5(15)7(17)9(19)11(21-3)23-12-10(20)8(18)6(16)4(2-14)22-12/h3-20H,1-2H2/t3-,4-,5+,6+,7+,8+,9-,10-,11+,12+/m1/s1
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	beta-D-galactopyranosyl 1-thio-beta-D-galactopyranoside

TEU

TEU
Name:	1-O-alpha-D-glucopyranosyl-D-fructose
Formula:	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
Synonyms:	1-O-alpha-D-glucosyl-D-fructose
Definition date:	2012-10-04
Last modified:	2020-07-17
Release date:	2013-09-25
Identifier:	1-O-alpha-D-glucopyranosyl-D-fructose

TF0

TF0
Name:	2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranose
Formula:	C14 H25 N O11
SMILES:	C2(O)C(OC1C(NC(C)=O)C(OC(C1O)CO)O)OC(CO)C(C2O)O
InChi:	InChI=1S/C14H25NO11/c1-4(18)15-7-12(9(20)6(3-17)24-13(7)23)26-14-11(22)10(21)8(19)5(2-16)25-14/h5-14,16-17,19-23H,2-3H2,1H3,(H,15,18)/t5-,6-,7-,8+,9+,10+,11-,12-,13+,14+/m1/s1
Synonyms:	TF antigen
Definition date:	2017-08-17
Last modified:	2020-07-17
Release date:	2018-02-28
Identifier:	2-(acetylamino)-2-deoxy-3-O-beta-D-galactopyranosyl-alpha-D-galactopyranose

3R3

3R3
Name:	[[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid
Formula:	C5 H14 N O13 P3
SMILES:	O[CH]1[CH](O)[CH](O[CH]1CO[P](O)(O)=O)O[P](O)(=O)N[P](O)(O)=O
InChi:	InChI=1S/C5H14NO13P3/c7-3-2(1-17-22(14,15)16)18-5(4(3)8)19-21(12,13)6-20(9,10)11/h2-5,7-8H,1H2,(H2,14,15,16)(H4,6,9,10,11,12,13)/t2-,3-,4-,5-/m1/s1
Definition date:	2014-10-13
Last modified:	2020-07-17
Release date:	2015-12-23
Identifier:	[[[(2R,3R,4S,5R)-3,4-bis(oxidanyl)-5-(phosphonooxymethyl)oxolan-2-yl]oxy-oxidanyl-phosphoryl]amino]phosphonic acid

TGA

TGA
Name:	2-sulfanylethyl beta-D-galactopyranoside
Formula:	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
Synonyms:	METHANETHIOSULFONYL-GALACTOSIDE
Definition date:	2011-01-19
Last modified:	2020-07-17
Identifier:	(2R,3R,4S,5R,6R)-2-(hydroxymethyl)-6-(2-sulfanylethoxy)oxane-3,4,5-triol

3S6

3S6
Name:	prop-2-en-1-yl beta-D-galactofuranoside
Formula:	C9 H16 O6
SMILES:	O(C/C=C)C1OC(C(O)C1O)C(O)CO
InChi:	InChI=1S/C9H16O6/c1-2-3-14-9-7(13)6(12)8(15-9)5(11)4-10/h2,5-13H,1,3-4H2/t5-,6-,7-,8+,9-/m1/s1
Synonyms:	prop-2-en-1-yl beta-D-galactoside
Definition date:	2014-10-16
Last modified:	2020-07-17
Release date:	2015-07-01
Identifier:	prop-2-en-1-yl beta-D-galactofuranoside

3SA

3SA
Name:	ACARBOSE DERIVED TRISACCHARIDE
Formula:	C19 H33 N O13
SMILES:	OC3C(OC2OC(C)C(NC1C=C(CO)C(O)C(O)C1O)C(O)C2O)C(OC(O)C3O)CO
InChi:	InChI=1S/C19H33NO13/c1-5-9(20-7-2-6(3-21)10(23)13(26)11(7)24)12(25)16(29)19(31-5)33-17-8(4-22)32-18(30)15(28)14(17)27/h2,5,7-30H,3-4H2,1H3/t5-,7+,8-,9-,10-,11+,12+,13+,14-,15-,16-,17-,18+,19-/m1/s1
Synonyms:	4-O-(4,6-DIDEOXY-4-{[4,5,6-TRIHYDROXY-3-(HYDROXYMETHYL)CYCLOHEX-2-EN-1-YL]AMINO}-BETA-D-LYXO-HEXOPYRANOSYL)-ALPHA-D-ERY THRO-HEXOPYRANOSE
Definition date:	2004-09-15
Last modified:	2020-07-17
Identifier:	4-O-(4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranosyl)-alpha-D-glucopyranose

TH1

TH1
Name:	(1R)-1,5-anhydro-1-(5-methyl-1,3-benzothiazol-2-yl)-D-glucitol
Formula:	C14 H17 N O5 S
SMILES:	n1c3cc(ccc3sc1C2OC(CO)C(O)C(O)C2O)C
InChi:	InChI=1S/C14H17NO5S/c1-6-2-3-9-7(4-6)15-14(21-9)13-12(19)11(18)10(17)8(5-16)20-13/h2-4,8,10-13,16-19H,5H2,1H3/t8-,10-,11+,12-,13-/m1/s1
Synonyms:	2-(BETA-D-GLUCOPYRANOSYL)-5-METHYL-BENZOTHIAZOLE
Definition date:	2004-10-05
Last modified:	2020-07-17
Identifier:	(1R)-1,5-anhydro-1-(5-methyl-1,3-benzothiazol-2-yl)-D-glucitol

BFN

BFN
Name:	5-acetamido-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid
Formula:	C18 H23 F N2 O9
SMILES:	O=C(c1ccccc1)NCC(O)C(O)C2OC(O)(C(=O)O)C(F)C(O)C2NC(=O)C
InChi:	InChI=1S/C18H23FN2O9/c1-8(22)21-11-13(25)15(19)18(29,17(27)28)30-14(11)12(24)10(23)7-20-16(26)9-5-3-2-4-6-9/h2-6,10-15,23-25,29H,7H2,1H3,(H,20,26)(H,21,22)(H,27,28)/t10-,11-,12-,13-,14-,15-,18+/m1/s1
Synonyms:	5-(acetylamino)-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid
Definition date:	2007-11-07
Last modified:	2020-07-17
Identifier:	5-(acetylamino)-9-(benzoylamino)-3,5,9-trideoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic 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

BGS

BGS
Name:	(1S)-1,5-anhydro-1-(ethylsulfonyl)-D-glucitol
Formula:	C8 H16 O7 S
SMILES:	O=S(=O)(C1OC(C(O)C(O)C1O)CO)CC
InChi:	InChI=1S/C8H16O7S/c1-2-16(13,14)8-7(12)6(11)5(10)4(3-9)15-8/h4-12H,2-3H2,1H3/t4-,5-,6+,7-,8+/m1/s1
Synonyms:	BETA-D-GLUCOPYRANOSYLSULFONYLETHANE
Definition date:	2005-10-26
Last modified:	2020-07-17
Identifier:	(1S)-1,5-anhydro-1-(ethylsulfonyl)-D-glucitol

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

TM5

TM5
Name:	THIO-MALTOPENTAOSE
Formula:	C30 H52 O23 S3
SMILES:	S(C2C(OC(OC1C(O)C(O)C(S)OC1CO)C(O)C2O)CO)C5OC(C(OC4OC(CO)C(SC3OC(CO)C(O)C(O)C3O)C(O)C4O)C(O)C5O)CO
InChi:	InChI=1S/C30H52O23S3/c31-1-6-11(36)12(37)20(45)29(50-6)55-24-9(4-34)48-27(18(43)15(24)40)53-23-8(3-33)51-30(21(46)14(23)39)56-25-10(5-35)47-26(17(42)16(25)41)52-22-7(2-32)49-28(54)19(44)13(22)38/h6-46,54H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14-,15-,16-,17-,18-,19-,20-,21-,22-,23-,24-,25-,26-,27-,28-,29-,30-/m1/s1
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-1-thio-alpha-D-glucopyranose

TM6

TM6
Name:	THIO-MALTOHEXAOSE
Formula:	C36 H62 O28 S3
SMILES:	S(C3C(OC(OC2C(O)C(O)C(SC1C(O)C(O)C(O)OC1CO)OC2CO)C(O)C3O)CO)C6OC(C(OC5OC(CO)C(SC4OC(CO)C(O)C(O)C4O)C(O)C5O)C(O)C6O)CO
InChi:	InChI=1S/C36H62O28S3/c37-1-7-13(43)14(44)23(53)34(60-7)66-29-11(5-41)58-32(21(51)18(29)48)64-27-9(3-39)62-36(25(55)16(27)46)67-30-12(6-42)59-33(22(52)19(30)49)63-26-8(2-38)61-35(24(54)15(26)45)65-28-10(4-40)57-31(56)20(50)17(28)47/h7-56H,1-6H2/t7-,8-,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-/m1/s1
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranosyl-(1->4)-alpha-D-glucopyranosyl-(1->4)-4-thio-alpha-D-glucopyranose

TMX

TMX
Name:	2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose
Formula:	C9 H20 N O5
SMILES:	OC1OC(C(O)C(O)C1[N+](C)(C)C)CO
InChi:	InChI=1S/C9H20NO5/c1-10(2,3)6-8(13)7(12)5(4-11)15-9(6)14/h5-9,11-14H,4H2,1-3H3/q+1/t5-,6-,7-,8-,9-/m1/s1
Synonyms:	2-deoxy-2-(trimethylammonio)-beta-D-glucose
Definition date:	2010-09-02
Last modified:	2020-07-17
Identifier:	2-deoxy-2-(trimethylammonio)-beta-D-glucopyranose

TNX

TNX
Name:	1,5-anhydro-2-deoxy-2-(ethanethioylamino)-D-arabino-hex-1-enitol
Formula:	C8 H13 N O4 S
SMILES:	C=1OC(C(C(C=1NC(=S)C)O)O)CO
InChi:	InChI=1S/C8H13NO4S/c1-4(14)9-5-3-13-6(2-10)8(12)7(5)11/h3,6-8,10-12H,2H2,1H3,(H,9,14)/t6-,7-,8-/m1/s1
Synonyms:	N-[(2R,3S,4R)-2-(hydroxymethyl)-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-5-yl]ethanethioamide
Definition date:	2015-12-18
Last modified:	2020-07-17
Release date:	2016-10-26
Identifier:	1,5-anhydro-2-deoxy-2-(ethanethioylamino)-D-arabino-hex-1-enitol

BM3

BM3
Name:	2-acetamido-2-deoxy-alpha-D-mannopyranose
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-alpha-D-mannosamine
Definition date:	2006-08-03
Last modified:	2020-07-17
Identifier:	2-(acetylamino)-2-deoxy-alpha-D-mannopyranose

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