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PDB Info pages Status search Chemie search: 908 results BIRD

HNW

HNW
Name:	4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-D-mannopyranoside
Formula:	C15 H18 O7
SMILES:	O(c1ccc(C#CCO)cc1)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C15H18O7/c16-7-1-2-9-3-5-10(6-4-9)21-15-14(20)13(19)12(18)11(8-17)22-15/h3-6,11-20H,7-8H2/t11-,12-,13+,14+,15+/m1/s1
Synonyms:	D-MANNOSE ALPHA1O P-HYDROXYPROPYNYL-PHENYL
Definition date:	2012-05-17
Last modified:	2020-07-17
Identifier:	4-(3-hydroxyprop-1-yn-1-yl)phenyl alpha-D-mannopyranoside

HSG

HSG
Name:	octyl alpha-L-altropyranoside
Formula:	C14 H28 O6
SMILES:	O(CCCCCCCC)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11-,12-,13+,14+/m0/s1
Synonyms:	octyl alpha-L-altroside
Definition date:	2009-01-14
Last modified:	2020-07-17
Identifier:	octyl alpha-L-altropyranoside

HSH

HSH
Name:	octyl beta-D-galactopyranoside
Formula:	C14 H28 O6
SMILES:	O(CCCCCCCC)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11+,12+,13-,14-/m1/s1
Synonyms:	octyl beta-D-galactoside
Definition date:	2009-01-14
Last modified:	2020-07-17
Identifier:	octyl beta-D-galactopyranoside

HSJ

HSJ
Name:	octyl beta-L-talopyranoside
Formula:	C14 H28 O6
SMILES:	O(CCCCCCCC)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C14H28O6/c1-2-3-4-5-6-7-8-19-14-13(18)12(17)11(16)10(9-15)20-14/h10-18H,2-9H2,1H3/t10-,11+,12+,13+,14-/m0/s1
Synonyms:	octyl beta-L-taloside
Definition date:	2009-01-14
Last modified:	2020-07-17
Release date:	2014-07-30
Identifier:	octyl beta-L-talopyranoside

HTG

HTG
Name:	heptyl 1-thio-beta-D-glucopyranoside
Formula:	C13 H26 O5 S
SMILES:	S(CCCCCCC)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C13H26O5S/c1-2-3-4-5-6-7-19-13-12(17)11(16)10(15)9(8-14)18-13/h9-17H,2-8H2,1H3/t9-,10-,11+,12-,13+/m1/s1
Synonyms:	HEPTYL 1-THIOHEXOPYRANOSIDE
Definition date:	2004-07-21
Last modified:	2020-07-17
Identifier:	heptyl 1-thio-beta-D-glucopyranoside

HTM

HTM
Name:	3-hydroxypropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid
Formula:	C11 H17 N O7
SMILES:	O=C(C1=CC(C(C(O1)OCCCO)NC(C)=O)O)O
InChi:	InChI=1S/C11H17NO7/c1-6(14)12-9-7(15)5-8(10(16)17)19-11(9)18-4-2-3-13/h5,7,9,11,13,15H,2-4H2,1H3,(H,12,14)(H,16,17)/t7-,9+,11+/m0/s1
Synonyms:	6-(3-HYDROXYPROPOXY)-5-ACETAMIDO-5,6-DIHYDRO-4-HYDROXY-4H-PYRAN-2-CARBOXYLIC ACID
Definition date:	2005-11-28
Last modified:	2020-07-17
Identifier:	3-hydroxypropyl 2-(acetylamino)-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid

QIF

QIF
Name:	1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulopyranose
Formula:	C7 H15 O9 P
SMILES:	C1(C(C(O)C(C(COP(=O)(O)O)O1)O)O)(O)C
InChi:	InChI=1S/C7H15O9P/c1-7(11)6(10)5(9)4(8)3(16-7)2-15-17(12,13)14/h3-6,8-11H,2H2,1H3,(H2,12,13,14)/t3-,4-,5+,6-,7+/m1/s1
Synonyms:	1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulose
Definition date:	2018-11-09
Last modified:	2020-07-17
Release date:	2019-05-01
Identifier:	1-deoxy-7-O-phosphono-alpha-D-gluco-hept-2-ulopyranose

0HX

0HX
Name:	pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid
Formula:	C13 H21 N O6
SMILES:	CCC(CC)O[CH]1OC(=C[CH](O)[CH]1NC(C)=O)C(O)=O
InChi:	InChI=1S/C13H21NO6/c1-4-8(5-2)19-13-11(14-7(3)15)9(16)6-10(20-13)12(17)18/h6,8-9,11,13,16H,4-5H2,1-3H3,(H,14,15)(H,17,18)/t9-,11+,13+/m0/s1
Synonyms:	pentan-3-yl 2-(acetylamino)-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid
Definition date:	2012-01-19
Last modified:	2020-07-17
Release date:	2013-02-08
Identifier:	(2~{R},3~{R},4~{S})-3-acetamido-4-oxidanyl-2-pentan-3-yloxy-3,4-dihydro-2~{H}-pyran-6-carboxylic acid

0LP

0LP
Name:	5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid
Formula:	C20 H25 N O8
SMILES:	CC(=O)NC1C(O)C(=C(OC1C(O)C(O)CO)C(O)=O)C[C@H]=Cc2ccccc2
InChi:	InChI=1S/C20H25NO8/c1-11(23)21-15-16(25)13(9-5-8-12-6-3-2-4-7-12)18(20(27)28)29-19(15)17(26)14(24)10-22/h2-8,14-17,19,22,24-26H,9-10H2,1H3,(H,21,23)(H,27,28)/b8-5+/t14-,15-,16+,17+,19-/m1/s1
Synonyms:	5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid
Definition date:	2012-08-16
Last modified:	2020-07-17
Release date:	2012-09-21
Identifier:	5-(acetylamino)-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid

0MK

0MK
Name:	beta-L-ribopyranose
Formula:	C5 H10 O5
SMILES:	C1(O)C(O)C(O)C(CO1)O
InChi:	InChI=1S/C5H10O5/c6-2-1-10-5(9)4(8)3(2)7/h2-9H,1H2/t2-,3-,4-,5-/m0/s1
Synonyms:	beta-L-ribose
Definition date:	2012-03-01
Last modified:	2020-07-17
Release date:	2013-03-20
Identifier:	beta-L-ribopyranose

0NZ

0NZ
Name:	2-deoxy-6-O-phosphono-beta-D-glucopyranose
Formula:	C6 H13 O8 P
SMILES:	O=P(O)(O)OCC1OC(O)CC(O)C1O
InChi:	InChI=1S/C6H13O8P/c7-3-1-5(8)14-4(6(3)9)2-13-15(10,11)12/h3-9H,1-2H2,(H2,10,11,12)/t3-,4-,5-,6+/m1/s1
Synonyms:	2-deoxy-6-O-phosphono-beta-D-arabino-hexopyranose
Definition date:	2012-08-17
Last modified:	2020-07-17
Release date:	2013-06-12
Identifier:	2-deoxy-6-O-phosphono-beta-D-arabino-hexopyranose

S7P

S7P
Name:	1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose
Formula:	C7 H15 O10 P
SMILES:	O=P(O)(O)OCC(O)C1OC(O)(CO)C(O)C1O
InChi:	InChI=1S/C7H15O10P/c8-2-7(12)6(11)4(10)5(17-7)3(9)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4-,5-,6+,7-/m1/s1
Synonyms:	1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrose
Definition date:	2014-08-28
Last modified:	2020-07-17
Release date:	2015-08-12
Identifier:	1-C-(hydroxymethyl)-6-O-phosphono-beta-D-altrofuranose

S81

S81
Name:	(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-glucopyranoside
Formula:	C12 H25 F N4 O5
SMILES:	C1(C(C(O)C(F)C(CN)O1)N)OC2C(C(O)C(N)CC2N)O
InChi:	InChI=1S/C12H25FN4O5/c13-6-5(2-14)21-12(7(17)9(6)19)22-11-4(16)1-3(15)8(18)10(11)20/h3-12,18-20H,1-2,14-17H2/t3-,4+,5-,6-,7-,8+,9+,10-,11-,12-/m1/s1
Synonyms:	(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-glucoside
Definition date:	2015-06-17
Last modified:	2020-07-17
Release date:	2016-06-22
Identifier:	(1R,2R,3S,4R,6S)-4,6-diamino-2,3-dihydroxycyclohexyl 2,6-diamino-2,4,6-trideoxy-4-fluoro-alpha-D-glucopyranoside

SA0

SA0
Name:	2-(hydroxymethyl)phenyl beta-D-glucopyranoside
Formula:	C13 H18 O7
SMILES:	O(c1c(cccc1)CO)C2OC(C(O)C(O)C2O)CO
InChi:	InChI=1S/C13H18O7/c14-5-7-3-1-2-4-8(7)19-13-12(18)11(17)10(16)9(6-15)20-13/h1-4,9-18H,5-6H2/t9-,10-,11+,12-,13-/m1/s1
Synonyms:	Salicin
Definition date:	2011-10-14
Last modified:	2020-07-17
Identifier:	2-(hydroxymethyl)phenyl beta-D-glucopyranoside

SCG

SCG
Name:	Secologanin
Formula:	C17 H24 O10
SMILES:	O=CCC2C(C(=O)OC)=COC(OC1OC(C(O)C(O)C1O)CO)C2C=C
InChi:	InChI=1S/C17H24O10/c1-3-8-9(4-5-18)10(15(23)24-2)7-25-16(8)27-17-14(22)13(21)12(20)11(6-19)26-17/h3,5,7-9,11-14,16-17,19-22H,1,4,6H2,2H3/t8-,9+,11-,12-,13+,14-,16+,17+/m1/s1
Synonyms:	METHYL (2S,3R,4S)-2-(BETA-D-GLUCOPYRANOSYLOXY)-4-(2-OXOETHYL)-3-VINYL-3,4-DIHYDRO-2H-PYRAN-5-CARBOXYLATE
Definition date:	2006-01-19
Last modified:	2020-07-17
Identifier:	methyl (2S,3R,4S)-3-ethenyl-2-(beta-D-glucopyranosyloxy)-4-(2-oxoethyl)-3,4-dihydro-2H-pyran-5-carboxylate

73E

73E
Name:	(1S)-1,5-anhydro-1-[3-(4-hydroxyphenyl)-1H-1,2,4-triazol-5-yl]-D-glucitol
Formula:	C14 H17 N3 O5
SMILES:	OC[CH]1O[CH]([CH](O)[CH](O)[CH]1O)c2[nH]c(nn2)c3ccccc3
InChi:	InChI=1S/C14H17N3O5/c18-6-8-9(19)10(20)11(21)12(22-8)14-15-13(16-17-14)7-4-2-1-3-5-7/h1-5,8-12,18-21H,6H2,(H,15,16,17)/t8-,9-,10+,11-,12-/m1/s1
Synonyms:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol
Definition date:	2016-08-19
Last modified:	2020-07-17
Release date:	2017-06-14
Identifier:	(2~{R},3~{S},4~{R},5~{R},6~{S})-2-(hydroxymethyl)-6-(5-phenyl-4~{H}-1,2,4-triazol-3-yl)oxane-3,4,5-triol

SDY

SDY
Name:	beta-D-talopyranose
Formula:	C6 H12 O6
SMILES:	OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
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-/m1/s1
Synonyms:	beta-D-talose
Definition date:	2020-03-06
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	(2~{R},3~{S},4~{S},5~{R},6~{R})-6-(hydroxymethyl)oxane-2,3,4,5-tetrol

SEJ

SEJ
Name:	beta-D-arabinopyranose
Formula:	C5 H10 O5
SMILES:	O[CH]1CO[CH](O)[CH](O)[CH]1O
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:	beta-D-arabinose
Definition date:	2020-03-06
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	(2~{R},3~{S},4~{R},5~{R})-oxane-2,3,4,5-tetrol

SF6

SF6
Name:	alpha-L-psicofuranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(OC1(O)CO)CO
InChi:	InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5-,6+/m0/s1
Synonyms:	alpha-L-psicose
Definition date:	2014-07-24
Last modified:	2020-07-17
Release date:	2015-04-29
Identifier:	alpha-L-psicofuranose

SF9

SF9
Name:	beta-L-psicofuranose
Formula:	C6 H12 O6
SMILES:	OC1C(O)C(OC1(O)CO)CO
InChi:	InChI=1S/C6H12O6/c7-1-3-4(9)5(10)6(11,2-8)12-3/h3-5,7-11H,1-2H2/t3-,4-,5-,6-/m0/s1
Synonyms:	beta-L-psicose
Definition date:	2014-07-24
Last modified:	2020-07-17
Release date:	2015-04-29
Identifier:	beta-L-psicofuranose

SFJ

SFJ
Name:	(2R,3R,4R,5R,6R)-5-acetamido-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxylic acid
Formula:	C11 H17 F2 N O8
SMILES:	FC1(OC(C(NC(=O)C)C(O)C1F)C(O)C(O)CO)C(=O)O
InChi:	InChI=1S/C11H17F2NO8/c1-3(16)14-5-7(19)9(12)11(13,10(20)21)22-8(5)6(18)4(17)2-15/h4-9,15,17-19H,2H2,1H3,(H,14,16)(H,20,21)/t4-,5-,6-,7-,8-,9-,11-/m1/s1
Synonyms:	(2R,3R,4R,5R,6R)-5-(acetylamino)-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxy lic acid
Definition date:	2014-12-26
Last modified:	2020-07-17
Release date:	2015-09-16
Identifier:	(2R,3R,4R,5R,6R)-5-(acetylamino)-2,3-difluoro-4-hydroxy-6-[(1R,2R)-1,2,3-trihydroxypropyl]tetrahydro-2H-pyran-2-carboxy lic acid (non-preferred name)

SFU

SFU
Name:	methyl 1-seleno-alpha-L-fucopyranoside
Formula:	C7 H14 O4 Se
SMILES:	OC1C(O)C(O)C(OC1[Se]C)C
InChi:	InChI=1S/C7H14O4Se/c1-3-4(8)5(9)6(10)7(11-3)12-2/h3-10H,1-2H3/t3-,4+,5+,6-,7-/m0/s1
Synonyms:	METHYL 6-DEOXY-1-SELENO-ALPHA-L-GALACTOPYRANOSIDE
Definition date:	2009-08-13
Last modified:	2020-07-17
Identifier:	methyl 6-deoxy-1-seleno-alpha-L-galactopyranoside

MRH

MRH
Name:	4-acetamido-4,6-dideoxy-alpha-D-mannopyranose
Formula:	C8 H15 N O5
SMILES:	C[CH]1O[CH](O)[CH](O)[CH](O)[CH]1NC(C)=O
InChi:	InChI=1S/C8H15NO5/c1-3-5(9-4(2)10)6(11)7(12)8(13)14-3/h3,5-8,11-13H,1-2H3,(H,9,10)/t3-,5-,6+,7+,8+/m1/s1
Synonyms:	alpha-N-Acetylperosamine
Definition date:	2019-10-21
Last modified:	2020-07-17
Release date:	2020-01-15
Identifier:	~{N}-[(2~{R},3~{S},4~{S},5~{S},6~{S})-2-methyl-4,5,6-tris(oxidanyl)oxan-3-yl]ethanamide

MRP

MRP
Name:	3-O-methyl-alpha-L-rhamnopyranose
Formula:	C7 H14 O5
SMILES:	O(C1C(O)C(OC(O)C1O)C)C
InChi:	InChI=1S/C7H14O5/c1-3-4(8)6(11-2)5(9)7(10)12-3/h3-10H,1-2H3/t3-,4-,5+,6+,7+/m0/s1
Synonyms:	3-O-METHYL-ALPHA-L-RHAMNOPYRANOSIDE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	6-deoxy-3-O-methyl-alpha-L-mannopyranose

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

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