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PDB Info pages Status search Chemie search: 44311 results BIRD

YYJ

YYJ
Name:	1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose
Formula:	C6 H12 O18 S4
SMILES:	O=S(=O)(O)OCC1OC(O)(COS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O
InChi:	InChI=1S/C6H12O18S4/c7-6(2-21-26(11,12)13)5(24-28(17,18)19)4(23-27(14,15)16)3(22-6)1-20-25(8,9)10/h3-5,7H,1-2H2,(H,8,9,10)(H,11,12,13)(H,14,15,16)(H,17,18,19)/t3-,4-,5+,6-/m1/s1
Definition date:	2012-12-17
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	1,3,4,6-tetra-O-sulfo-beta-D-fructofuranose

YYK

YYK
Name:	beta-D-quinovopyranose
Formula:	C6 H12 O5
SMILES:	OC1C(O)C(OC(O)C1O)C
InChi:	InChI=1S/C6H12O5/c1-2-3(7)4(8)5(9)6(10)11-2/h2-10H,1H3/t2-,3-,4+,5-,6-/m1/s1
Synonyms:	beta-D-quinovoose
Definition date:	2012-12-18
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	6-deoxy-beta-D-glucopyranose

YYM

YYM
Name:	alpha-D-ribopyranose
Formula:	C5 H10 O5
SMILES:	OC1C(O)COC(O)C1O
InChi:	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5+/m1/s1
Synonyms:	alpha-D-ribose
Definition date:	2012-12-17
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	alpha-D-ribopyranose

SIO

SIO
Name:	methyl 4,9-di-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
Formula:	C16 H25 N O11
SMILES:	O=C(OCC(O)C(O)C1OC(OC)(C(=O)O)CC(OC(=O)C)C1NC(=O)C)C
InChi:	InChI=1S/C16H25NO11/c1-7(18)17-12-11(27-9(3)20)5-16(25-4,15(23)24)28-14(12)13(22)10(21)6-26-8(2)19/h10-14,21-22H,5-6H2,1-4H3,(H,17,18)(H,23,24)/t10-,11+,12-,13-,14-,16-/m1/s1
Synonyms:	methyl 4,9-di-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
Definition date:	2008-03-20
Last modified:	2020-07-17
Identifier:	methyl 4,9-di-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid

YZ0

YZ0
Name:	methyl beta-D-mannopyranoside
Formula:	C7 H14 O6
SMILES:	OC1C(O)C(O)C(OC1OC)CO
InChi:	InChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7-/m1/s1
Definition date:	2012-12-18
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	methyl beta-D-mannopyranoside

O1G

O1G
Name:	3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco pyranose
Formula:	C14 H22 N2 O13 P2
SMILES:	O=P(O)(O)OCc1cnc(c(O)c1/C=N/C2C(O)C(OC(O)C2O)COP(=O)(O)O)C
InChi:	InChI=1S/C14H22N2O13P2/c1-6-11(17)8(7(2-15-6)4-27-30(21,22)23)3-16-10-12(18)9(5-28-31(24,25)26)29-14(20)13(10)19/h2-3,9-10,12-14,17-20H,4-5H2,1H3,(H2,21,22,23)(H2,24,25,26)/b16-3+/t9-,10+,12-,13-,14+/m1/s1
Synonyms:	3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco se
Definition date:	2013-04-10
Last modified:	2020-07-17
Release date:	2013-10-16
Identifier:	3-deoxy-3-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-6-O-phosphono-alpha-D-gluco pyranose

PAV

PAV
Name:	(2R,4S)-2-methyl-2,3,3,4-tetrahydroxytetrahydrofuran
Formula:	C5 H10 O5
SMILES:	OC1(O)C(O)(OCC1O)C
InChi:	InChI=1S/C5H10O5/c1-4(7)5(8,9)3(6)2-10-4/h3,6-9H,2H2,1H3/t3-,4+/m0/s1
Definition date:	2004-06-16
Last modified:	2020-07-17
Identifier:	(2R,4S)-2-methyldihydrofuran-2,3,3,4(2H)-tetrol (non-preferred name)

YKR

YKR
Name:	2-amino-4-O-benzyl-2-deoxy-alpha-D-glucopyranose
Formula:	C13 H19 N O5
SMILES:	OC2C(OCc1ccccc1)C(OC(O)C2N)CO
InChi:	InChI=1S/C13H19NO5/c14-10-11(16)12(9(6-15)19-13(10)17)18-7-8-4-2-1-3-5-8/h1-5,9-13,15-17H,6-7,14H2/t9-,10-,11-,12-,13+/m1/s1
Synonyms:	4-benzyl-alpha-D-glucosamine
Definition date:	2012-07-31
Last modified:	2020-07-17
Release date:	2013-08-07
Identifier:	2-amino-4-O-benzyl-2-deoxy-alpha-D-glucopyranose

SIZ

SIZ
Name:	2-deoxy-2-[(difluoroacetyl)amino]-beta-D-galactopyranose
Formula:	C8 H13 F2 N O6
SMILES:	OC[CH]1O[CH](O)[CH](NC(=O)C(F)F)[CH](O)[CH]1O
InChi:	InChI=1S/C8H13F2NO6/c9-6(10)7(15)11-3-5(14)4(13)2(1-12)17-8(3)16/h2-6,8,12-14,16H,1H2,(H,11,15)/t2-,3-,4+,5-,8-/m1/s1
Synonyms:	N-DIFLUOROACETYL-D-GALACTOSAMINE
Definition date:	2015-12-14
Last modified:	2020-07-17
Release date:	2016-03-30
Identifier:	2,2-bis(fluoranyl)-N-[(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-2,4,5-tris(oxidanyl)oxan-3-yl]ethanamide

PPC

PPC
Name:	1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose
Formula:	C6 H15 O13 P3
SMILES:	O=P(OC1OC(C(O)C1O)COP(=O)(O)O)(O)CP(=O)(O)O
InChi:	InChI=1S/C6H15O13P3/c7-4-3(1-17-22(14,15)16)18-6(5(4)8)19-21(12,13)2-20(9,10)11/h3-8H,1-2H2,(H,12,13)(H2,9,10,11)(H2,14,15,16)/t3-,4-,5-,6-/m1/s1
Synonyms:	5-PHOSPHORIBOSYL-1-(BETA-METHYLENE) PYROPHOSPHATE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	1-O-[(R)-hydroxy(phosphonomethyl)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose

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

TQY

TQY
Name:	6-O-octanoyl-alpha-D-glucopyranose
Formula:	C14 H26 O7
SMILES:	C(=O)(CCCCCCC)OCC1C(C(C(C(O1)O)O)O)O
InChi:	InChI=1S/C14H26O7/c1-2-3-4-5-6-7-10(15)20-8-9-11(16)12(17)13(18)14(19)21-9/h9,11-14,16-19H,2-8H2,1H3/t9-,11-,12+,13-,14+/m1/s1
Definition date:	2020-03-30
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	6-O-octanoyl-alpha-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

Z0F

Z0F
Name:	alpha-L-idopyranose
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+/m0/s1
Synonyms:	alpha-L-idose
Definition date:	2012-12-18
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	alpha-L-idopyranose

NNG

NNG
Name:	2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-alpha-D-glucopyranose
Formula:	C7 H17 N O10 P2
SMILES:	O=P(O)(O)OCC1OC(O)C(NP(=O)(O)C)C(O)C1O
InChi:	InChI=1S/C7H17NO10P2/c1-19(12,13)8-4-6(10)5(9)3(18-7(4)11)2-17-20(14,15)16/h3-7,9-11H,2H2,1H3,(H2,8,12,13)(H2,14,15,16)/t3-,4-,5-,6-,7+/m1/s1
Synonyms:	N-ACETYLPHOSPHONOAMIDATE-D-GLUCOSAMINE-6-PHOSPHATE
Definition date:	2007-03-26
Last modified:	2020-07-17
Identifier:	2-deoxy-2-{[(S)-hydroxy(methyl)phosphoryl]amino}-6-O-phosphono-alpha-D-glucopyranose

TRE

TRE
Name:	TREHALOSE
Formula:	C12 H22 O11
SMILES:	O2C(OC1OC(C(O)C(O)C1O)CO)C(O)C(O)C(O)C2CO
InChi:	InChI=1S/C12H22O11/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
Synonyms:	ALPHA-D-GLUCOPYRANOSYL-ALPHA-D-GLUCOPYRANOSIDE
Definition date:	2000-04-19
Last modified:	2020-07-17
Identifier:	alpha-D-glucopyranosyl alpha-D-glucopyranoside

Z15

Z15
Name:	(1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol
Formula:	C12 H15 Cl O7
SMILES:	Clc1c(O)cc(c(O)c1)C2OC(CO)C(O)C(O)C2O
InChi:	InChI=1S/C12H15ClO7/c13-5-2-6(15)4(1-7(5)16)12-11(19)10(18)9(17)8(3-14)20-12/h1-2,8-12,14-19H,3H2/t8-,9-,10+,11-,12+/m1/s1
Definition date:	2010-07-01
Last modified:	2020-07-17
Identifier:	(1S)-1,5-anhydro-1-(4-chloro-2,5-dihydroxyphenyl)-D-glucitol

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

Z16

Z16
Name:	(1S)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-D-glucitol
Formula:	C12 H15 Cl O7
SMILES:	Clc1cc(O)cc(c1O)C2OC(CO)C(O)C(O)C2O
InChi:	InChI=1S/C12H15ClO7/c13-6-2-4(15)1-5(8(6)16)12-11(19)10(18)9(17)7(3-14)20-12/h1-2,7,9-12,14-19H,3H2/t7-,9-,10+,11-,12+/m1/s1
Definition date:	2010-07-01
Last modified:	2020-07-17
Identifier:	(1S)-1,5-anhydro-1-(3-chloro-2,5-dihydroxyphenyl)-D-glucitol

U63

U63
Name:	2-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-beta-D-glucopyranose
Formula:	C12 H21 F O10
SMILES:	FC2C(O)C(OC1OC(C(O)C(O)C1O)CO)C(OC2O)CO
InChi:	InChI=1S/C12H21FO10/c13-5-7(17)10(4(2-15)21-11(5)20)23-12-9(19)8(18)6(16)3(1-14)22-12/h3-12,14-20H,1-2H2/t3-,4-,5-,6-,7-,8+,9-,10-,11-,12+/m1/s1
Definition date:	2014-10-06
Last modified:	2020-07-17
Release date:	2015-01-14
Identifier:	2-deoxy-2-fluoro-4-O-beta-D-glucopyranosyl-beta-D-glucopyranose

ZMR

ZMR
Name:	ZANAMIVIR
Formula:	C12 H20 N4 O7
SMILES:	C(=O)(O)C1=CC(C(NC(=O)C)C(O1)C(O)C(O)CO)NC(=N)N
InChi:	InChI=1S/C12H20N4O7/c1-4(18)15-8-5(16-12(13)14)2-7(11(21)22)23-10(8)9(20)6(19)3-17/h2,5-6,8-10,17,19-20H,3H2,1H3,(H,15,18)(H,21,22)(H4,13,14,16)/t5-,6+,8+,9+,10+/m0/s1
Synonyms:	4-GUANIDINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-D-glycero-D-galacto-non-2-enonic acid

OI7

OI7
Name:	1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose
Formula:	C7 H16 O13 P2
SMILES:	O=P(O)(O)OCC(O)C1OC(O)(COP(=O)(O)O)C(O)C1O
InChi:	InChI=1S/C7H16O13P2/c8-3(1-18-21(12,13)14)5-4(9)6(10)7(11,20-5)2-19-22(15,16)17/h3-6,8-11H,1-2H2,(H2,12,13,14)(H2,15,16,17)/t3-,4-,5-,6+,7-/m1/s1
Synonyms:	1,7-di-O-phosphono-beta-D-altro-hept-2-ulose
Definition date:	2010-10-21
Last modified:	2020-07-17
Identifier:	1,7-di-O-phosphono-beta-D-altro-hept-2-ulofuranose

TRV

TRV
Name:	6-O-octanoyl-beta-D-fructofuranose
Formula:	C14 H26 O7
SMILES:	OC1(CO)C(O)C(O)C(COC(=O)CCCCCCC)O1
InChi:	InChI=1S/C14H26O7/c1-2-3-4-5-6-7-11(16)20-8-10-12(17)13(18)14(19,9-15)21-10/h10,12-13,15,17-19H,2-9H2,1H3/t10-,12-,13+,14-/m1/s1
Definition date:	2020-03-30
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	6-O-octanoyl-beta-D-fructofuranose

XGP

XGP
Name:	1-O-phosphono-beta-D-glucopyranose
Formula:	C6 H13 O9 P
SMILES:	O=P(O)(OC1OC(C(O)C(O)C1O)CO)O
InChi:	InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
Synonyms:	1-O-phosphono-beta-D-glucose
Definition date:	2009-10-07
Last modified:	2020-07-17
Identifier:	1-O-phosphono-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

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