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PDB Info pages Status search Chemie search: 908 results BIRD

JS2

JS2
Name:	5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D- ribofuranose
Formula:	C14 H23 N5 O12 P2
SMILES:	O=C3NC=Nc1c3nc(N)n1CCCCOP(=O)(O)OP(=O)(O)OCC2OC(O)C(O)C2O
InChi:	InChI=1S/C14H23N5O12P2/c15-14-18-8-11(16-6-17-12(8)22)19(14)3-1-2-4-28-32(24,25)31-33(26,27)29-5-7-9(20)10(21)13(23)30-7/h6-7,9-10,13,20-21,23H,1-5H2,(H2,15,18)(H,24,25)(H,26,27)(H,16,17,22)/t7-,9-,10-,13+/m1/s1
Synonyms:	5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D- ribose
Definition date:	2014-06-18
Last modified:	2020-07-17
Release date:	2015-05-13
Identifier:	5-O-[(R)-{[(S)-[4-(8-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)butoxy](hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D- ribofuranose

JV4

JV4
Name:	6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucopyranose
Formula:	C6 H12 F O8 P
SMILES:	C1(C(C(OC(C1O)CF)OP(O)(=O)O)O)O
InChi:	InChI=1S/C6H12FO8P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-6,8-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6-/m1/s1
Synonyms:	6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucose
Definition date:	2018-09-28
Last modified:	2020-07-17
Release date:	2019-07-31
Identifier:	6-deoxy-6-fluoro-1-O-phosphono-alpha-D-glucopyranose

JVA

JVA
Name:	2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-D-glycero-D-manno-heptitol
Formula:	C7 H14 F O7 P
SMILES:	C1(OC(C(C(C1F)O)O)CO)CP(O)(O)=O
InChi:	InChI=1S/C7H14FO7P/c8-5-4(2-16(12,13)14)15-3(1-9)6(10)7(5)11/h3-7,9-11H,1-2H2,(H2,12,13,14)/t3-,4-,5-,6-,7-/m1/s1
Definition date:	2018-10-01
Last modified:	2020-07-17
Release date:	2019-07-31
Identifier:	2,6-anhydro-5,7-dideoxy-5-fluoro-7-phosphono-D-glycero-D-manno-heptitol

JVS

JVS
Name:	1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose
Formula:	C7 H14 F O9 P
SMILES:	C1(C(C(CF)(OC(C1O)CO)OP(O)(=O)O)O)O
InChi:	InChI=1S/C7H14FO9P/c8-2-7(17-18(13,14)15)6(12)5(11)4(10)3(1-9)16-7/h3-6,9-12H,1-2H2,(H2,13,14,15)/t3-,4-,5+,6-,7-/m1/s1
Synonyms:	1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulose
Definition date:	2018-10-04
Last modified:	2020-07-17
Release date:	2019-07-31
Identifier:	1-deoxy-1-fluoro-2-O-phosphono-alpha-D-gluco-hept-2-ulopyranose

LKA

LKA
Name:	5-thio-alpha-D-mannopyranosylamine
Formula:	C6 H13 N O4 S
SMILES:	OC1C(O)C(SC(N)C1O)CO
InChi:	InChI=1S/C6H13NO4S/c7-6-5(11)4(10)3(9)2(1-8)12-6/h2-6,8-11H,1,7H2/t2-,3-,4+,5+,6+/m1/s1
Synonyms:	5-THIO-A/B-D-MANNOPYRANOSYLAMINE
Definition date:	2003-10-07
Last modified:	2020-07-17
Identifier:	5-thio-alpha-D-mannopyranosylamine

LKS

LKS
Name:	N-[(1Z)-2-phenylethanimidoyl]-5-thio-alpha-D-mannopyranosylamine
Formula:	C14 H20 N2 O4 S
SMILES:	[N@H]=C(NC1SC(C(O)C(O)C1O)CO)Cc2ccccc2
InChi:	InChI=1S/C14H20N2O4S/c15-10(6-8-4-2-1-3-5-8)16-14-13(20)12(19)11(18)9(7-17)21-14/h1-5,9,11-14,17-20H,6-7H2,(H2,15,16)/t9-,11-,12+,13+,14+/m1/s1
Synonyms:	N-(1-IMINIO-2-PHENYLETHYL)-5-THIOHEXOPYRANOSYLAMINE BROMIDE
Definition date:	2003-10-08
Last modified:	2020-07-17
Identifier:	N-[(1Z)-2-phenylethanimidoyl]-5-thio-alpha-D-mannopyranosylamine

3DO

3DO
Name:	3-deoxy-beta-D-glucopyranose
Formula:	C6 H12 O5
SMILES:	OC1C(OC(O)C(O)C1)CO
InChi:	InChI=1S/C6H12O5/c7-2-5-3(8)1-4(9)6(10)11-5/h3-10H,1-2H2/t3-,4+,5+,6+/m0/s1
Synonyms:	3-deoxy-beta-D-ribo-hexopyranose
Definition date:	2013-11-26
Last modified:	2020-07-17
Release date:	2015-03-25
Identifier:	3-deoxy-beta-D-ribo-hexopyranose

3FM

3FM
Name:	3-O-carbamoyl-alpha-D-mannopyranose
Formula:	C7 H13 N O7
SMILES:	O=C(OC1C(O)C(OC(O)C1O)CO)N
InChi:	InChI=1S/C7H13NO7/c8-7(13)15-5-3(10)2(1-9)14-6(12)4(5)11/h2-6,9-12H,1H2,(H2,8,13)/t2-,3-,4+,5+,6+/m1/s1
Synonyms:	3-O-FORMAMIDO-ALPHA-D-MANNOPYRANOSIDE
Definition date:	1999-07-16
Last modified:	2020-07-17
Identifier:	3-O-carbamoyl-alpha-D-mannopyranose

LNV

LNV
Name:	5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid
Formula:	C13 H22 N4 O7
SMILES:	O=C(O)C=1OC(C(OC)C(O)CO)C(NC(=O)C)C(C=1)NC(=[N@H])N
InChi:	InChI=1S/C13H22N4O7/c1-5(19)16-9-6(17-13(14)15)3-8(12(21)22)24-11(9)10(23-2)7(20)4-18/h3,6-7,9-11,18,20H,4H2,1-2H3,(H,16,19)(H,21,22)(H4,14,15,17)/t6-,7+,9+,10+,11+/m0/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid
Definition date:	2011-09-01
Last modified:	2020-07-17
Identifier:	5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-D-glycero-D-galacto-non-2-enonic acid

LOG

LOG
Name:	N-acetylglucosaminono-1,5-lactone (Z)-oxime
Formula:	C8 H14 N2 O6
SMILES:	O=C(NC1C(=NO)OC(CO)C(O)C1O)C
InChi:	InChI=1S/C8H14N2O6/c1-3(12)9-5-7(14)6(13)4(2-11)16-8(5)10-15/h4-7,11,13-15H,2H2,1H3,(H,9,12)/b10-8-/t4-,5-,6-,7-/m1/s1
Synonyms:	LOGNAC
Definition date:	2010-07-22
Last modified:	2020-07-17
Identifier:	N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-2-(hydroxyimino)-6-(hydroxymethyl)tetrahydro-2H-pyran-3-yl]acetamide (non-preferred name)

LOX

LOX
Name:	(2Z,3S,4S,5R)-2-hydroxyiminopiperidine-3,4,5-triol
Formula:	C5 H10 N2 O4
SMILES:	OC1C(=NO)NCC(O)C1O
InChi:	InChI=1S/C5H10N2O4/c8-2-1-6-5(7-11)4(10)3(2)9/h2-4,8-11H,1H2,(H,6,7)/t2-,3+,4-/m1/s1
Synonyms:	3,4,5-TRIHYDOXY-PIPERIDINE-2-ONE-OXIME
Definition date:	2000-08-17
Last modified:	2020-07-17
Identifier:	(2Z,3S,4S,5R)-3,4,5-trihydroxypiperidin-2-one oxime

LRH

LRH
Name:	6-deoxy-beta-L-fructofuranose
Formula:	C6 H12 O5
SMILES:	OC1C(O)C(OC1(O)CO)C
InChi:	InChI=1S/C6H12O5/c1-3-4(8)5(9)6(10,2-7)11-3/h3-5,7-10H,2H2,1H3/t3-,4-,5+,6-/m0/s1
Synonyms:	6-deoxy-beta-L-fructose
Definition date:	2007-04-13
Last modified:	2020-07-17
Identifier:	6-deoxy-beta-L-fructofuranose

LVO

LVO
Name:	5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid
Formula:	C21 H36 N4 O8
SMILES:	O=C(OCC(O)C(OC)C1OC(=CC(NC(=[N@H])N)C1NC(=O)C)C(=O)O)CCCCCCC
InChi:	InChI=1S/C21H36N4O8/c1-4-5-6-7-8-9-16(28)32-11-14(27)18(31-3)19-17(24-12(2)26)13(25-21(22)23)10-15(33-19)20(29)30/h10,13-14,17-19,27H,4-9,11H2,1-3H3,(H,24,26)(H,29,30)(H4,22,23,25)/t13-,14+,17+,18+,19+/m0/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid
Definition date:	2011-09-07
Last modified:	2020-07-17
Identifier:	5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-methyl-9-O-octanoyl-D-glycero-D-galacto-non-2-enonic acid

LVZ

LVZ
Name:	propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside
Formula:	C9 H19 N O11 S2
SMILES:	O=S(=O)(O)OCC1OC(OC(C)C)C(NS(=O)(=O)O)C(O)C1O
InChi:	InChI=1S/C9H19NO11S2/c1-4(2)20-9-6(10-22(13,14)15)8(12)7(11)5(21-9)3-19-23(16,17)18/h4-12H,3H2,1-2H3,(H,13,14,15)(H,16,17,18)/t5-,6-,7-,8-,9+/m1/s1
Synonyms:	propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucoside
Definition date:	2012-07-18
Last modified:	2020-07-17
Release date:	2013-07-31
Identifier:	propan-2-yl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside

U2A

U2A
Name:	methyl 2-thio-beta-D-glucopyranoside
Formula:	C7 H14 O5 S
SMILES:	SC1C(O)C(O)C(OC1OC)CO
InChi:	InChI=1S/C7H14O5S/c1-11-7-6(13)5(10)4(9)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
Definition date:	2020-04-08
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	methyl 2-thio-beta-D-glucopyranoside

U2D

U2D
Name:	6-O-decanoyl-alpha-D-glucopyranose
Formula:	C16 H30 O7
SMILES:	C1(C(C(O)C(C(O1)COC(CCCCCCCCC)=O)O)O)O
InChi:	InChI=1S/C16H30O7/c1-2-3-4-5-6-7-8-9-12(17)22-10-11-13(18)14(19)15(20)16(21)23-11/h11,13-16,18-21H,2-10H2,1H3/t11-,13-,14+,15-,16+/m1/s1
Definition date:	2020-04-09
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	6-O-decanoyl-alpha-D-glucopyranose

9GP

9GP
Name:	N-(hydroxyacetyl)-beta-D-glucopyranosylamine
Formula:	C8 H15 N O7
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)CO
InChi:	InChI=1S/C8H15NO7/c10-1-3-5(13)6(14)7(15)8(16-3)9-4(12)2-11/h3,5-8,10-11,13-15H,1-2H2,(H,9,12)/t3-,5-,6+,7-,8-/m1/s1
Synonyms:	N-(hydroxyacetyl)-beta-D-glucosylamine
Definition date:	2009-02-05
Last modified:	2020-07-17
Identifier:	N-(hydroxyacetyl)-beta-D-glucopyranosylamine

U8V

U8V
Name:	6-O-butanoyl-alpha-D-glucopyranose
Formula:	C10 H18 O7
SMILES:	OC1C(C(O)C(O)C(COC(=O)CCC)O1)O
InChi:	InChI=1S/C10H18O7/c1-2-3-6(11)16-4-5-7(12)8(13)9(14)10(15)17-5/h5,7-10,12-15H,2-4H2,1H3/t5-,7-,8+,9-,10+/m1/s1
Definition date:	2020-05-04
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	6-O-butanoyl-alpha-D-glucopyranose

U97

U97
Name:	2-O-sulfo-beta-L-galactopyranuronic acid
Formula:	C6 H10 O10 S
SMILES:	C1(C(C(=O)O)OC(O)C(C1O)OS(O)(=O)=O)O
InChi:	InChI=1S/C6H10O10S/c7-1-2(8)4(16-17(12,13)14)6(11)15-3(1)5(9)10/h1-4,6-8,11H,(H,9,10)(H,12,13,14)/t1-,2+,3+,4-,6-/m0/s1
Definition date:	2020-05-04
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	2-O-sulfo-beta-L-galactopyranuronic acid

U9A

U9A
Name:	[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid
Formula:	C5 H11 N O11 S2
SMILES:	C1(C(C(NS(O)(=O)=O)C(OC1OS(O)(=O)=O)O)O)O
InChi:	InChI=1S/C5H11NO11S2/c7-2-1(6-18(10,11)12)4(9)16-5(3(2)8)17-19(13,14)15/h1-9H,(H,10,11,12)(H,13,14,15)/t1-,2-,3-,4-,5-/m1/s1
Definition date:	2020-05-04
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	[(2R,3R,4R,5R,6R)-2,4,5-trihydroxy-6-(sulfooxy)tetrahydro-2H-pyran-3-yl]sulfamic acid (non-preferred name)

U9D

U9D
Name:	4-deoxy-2,3,6-tri-O-methyl-alpha-D-xylo-hexopyranose
Formula:	C9 H18 O5
SMILES:	C1C(OC(C(C1OC)OC)O)COC
InChi:	InChI=1S/C9H18O5/c1-11-5-6-4-7(12-2)8(13-3)9(10)14-6/h6-10H,4-5H2,1-3H3/t6-,7-,8+,9?/m0/s1
Definition date:	2020-05-05
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	4-deoxy-2,3,6-tri-O-methyl-alpha-D-xylo-hexopyranose

U9G

U9G
Name:	2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose
Formula:	C8 H16 O9 S
SMILES:	OC1C(OC(C(C1OC)OC)O)COS(O)(=O)=O
InChi:	InChI=1S/C8H16O9S/c1-14-6-5(9)4(3-16-18(11,12)13)17-8(10)7(6)15-2/h4-10H,3H2,1-2H3,(H,11,12,13)/t4-,5-,6+,7-,8+/m1/s1
Definition date:	2020-05-05
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	2,3-di-O-methyl-6-O-sulfo-alpha-D-glucopyranose

U9J

U9J
Name:	(2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol
Formula:	C8 H16 O7
SMILES:	OC1C(OC(C(C1OC)OC)O)C(O)O
InChi:	InChI=1S/C8H16O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-12H,1-2H3/t3-,4-,5+,6+,8+/m0/s1
Definition date:	2020-05-05
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	(2R,3R,4S,5S,6R)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol (non-preferred name)

U9M

U9M
Name:	(2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol
Formula:	C8 H16 O7
SMILES:	OC1C(OC(C(C1OC)OC)O)C(O)O
InChi:	InChI=1S/C8H16O7/c1-13-4-3(9)5(7(10)11)15-8(12)6(4)14-2/h3-12H,1-2H3/t3-,4-,5-,6+,8+/m0/s1
Definition date:	2020-05-05
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	(2R,3R,4S,5S,6S)-6-(dihydroxymethyl)-3,4-dimethoxytetrahydro-2H-pyran-2,5-diol (non-preferred name)

UAP

UAP
Name:	4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid
Formula:	C6 H8 O9 S
SMILES:	O=C(O)C=1OC(O)C(OS(=O)(=O)O)C(O)C=1
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+/m0/s1
Synonyms:	4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enuronic acid
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	4-deoxy-2-O-sulfo-alpha-L-threo-hex-4-enopyranuronic acid

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