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PDB Info pages Status search Chemie search: 35611 results BIRD

SUS

SUS
Name:	2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose
Formula:	C6 H13 N O14 S3
SMILES:	N(C1C(OC(C(C1OS(O)(=O)=O)O)COS(=O)(O)=O)O)S(=O)(O)=O
InChi:	InChI=1S/C6H13NO14S3/c8-4-2(1-19-23(13,14)15)20-6(9)3(7-22(10,11)12)5(4)21-24(16,17)18/h2-9H,1H2,(H,10,11,12)(H,13,14,15)(H,16,17,18)/t2-,3-,4-,5-,6+/m1/s1
Synonyms:	3,6-di-O-sulfo-N-sulfo-alpha-D-glucosamine
Definition date:	2009-08-18
Last modified:	2020-07-17
Identifier:	2-deoxy-3,6-di-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose

SV4

SV4
Name:	1-(3-methylpyridin-2-yl)-1,4-diazepane
Formula:	C11 H17 N3
SMILES:	Cc1cccnc1N2CCCNCC2
InChi:	InChI=1S/C11H17N3/c1-10-4-2-6-13-11(10)14-8-3-5-12-7-9-14/h2,4,6,12H,3,5,7-9H2,1H3
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	1-(3-methylpyridin-2-yl)-1,4-diazepane

TA6

TA6
Name:	6-O-phosphono-beta-D-tagatofuranose
Formula:	C6 H13 O9 P
SMILES:	O=P(O)(O)OCC1OC(O)(CO)C(O)C1O
InChi:	InChI=1S/C6H13O9P/c7-2-6(10)5(9)4(8)3(15-6)1-14-16(11,12)13/h3-5,7-10H,1-2H2,(H2,11,12,13)/t3-,4+,5+,6-/m1/s1
Synonyms:	6-O-phosphono-beta-D-tagatose
Definition date:	2006-03-24
Last modified:	2020-07-17
Identifier:	6-O-phosphono-beta-D-tagatofuranose

SVD

SVD
Name:	(5~{R})-5-~{tert}-butyl-2-methyl-1-oxidanyl-pyrazolidin-3-one
Formula:	C8 H16 N2 O2
SMILES:	CN1N(O)[CH](CC1=O)C(C)(C)C
InChi:	InChI=1S/C8H16N2O2/c1-8(2,3)6-5-7(11)9(4)10(6)12/h6,12H,5H2,1-4H3/t6-/m1/s1
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	(5~{R})-5-~{tert}-butyl-2-methyl-1-oxidanyl-pyrazolidin-3-one

SHB

SHB
Name:	methyl beta-D-galactopyranuronate
Formula:	C7 H12 O7
SMILES:	O=C(OC)C1OC(O)C(O)C(O)C1O
InChi:	InChI=1S/C7H12O7/c1-13-7(12)5-3(9)2(8)4(10)6(11)14-5/h2-6,8-11H,1H3/t2-,3+,4+,5-,6+/m0/s1
Definition date:	2009-01-17
Last modified:	2020-07-17
Identifier:	methyl beta-D-galactopyranuronate

SVG

SVG
Name:	(~{E})-1-(4-chlorophenyl)-~{N}-(pyridin-3-ylmethyl)ethanimine
Formula:	C14 H13 Cl N2
SMILES:	CC(=NCc1cccnc1)c2ccc(Cl)cc2
InChi:	InChI=1S/C14H13ClN2/c1-11(13-4-6-14(15)7-5-13)17-10-12-3-2-8-16-9-12/h2-9H,10H2,1H3/b17-11+
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	(~{E})-1-(4-chlorophenyl)-~{N}-(pyridin-3-ylmethyl)ethanimine

SVJ

SVJ
Name:	(1~{S},5~{R})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine
Formula:	C8 H16 N2
SMILES:	CN1[CH]2CC[CH]1C[CH](N)C2
InChi:	InChI=1S/C8H16N2/c1-10-7-2-3-8(10)5-6(9)4-7/h6-8H,2-5,9H2,1H3/t6-,7+,8-
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	(1~{S},5~{R})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine

YX0

YX0
Name:	[(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl alpha-L-fucopyranoside
Formula:	C12 H19 N O7
SMILES:	O(CC=1ONC(=C(O)C)C=1)C2OC(C(O)C(O)C2O)C
InChi:	InChI=1S/C12H19NO7/c1-5(14)8-3-7(20-13-8)4-18-12-11(17)10(16)9(15)6(2)19-12/h3,6,9-17H,4H2,1-2H3/b8-5+/t6-,9+,10+,11-,12+/m0/s1
Synonyms:	[(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl 6-deoxy-alpha-L-galactopyranoside
Definition date:	2008-05-22
Last modified:	2020-07-17
Identifier:	[(3E)-3-(1-hydroxyethylidene)-2,3-dihydroisoxazol-5-yl]methyl 6-deoxy-alpha-L-galactopyranoside

SVM

SVM
Name:	1-[(1~{R},2~{R},4~{S})-2-bicyclo[2.2.1]heptanyl]-3-(2-pyridin-2-ylethyl)thiourea
Formula:	C15 H21 N3 S
SMILES:	S=C(NCCc1ccccn1)N[CH]2C[CH]3CC[CH]2C3
InChi:	InChI=1S/C15H21N3S/c19-15(17-8-6-13-3-1-2-7-16-13)18-14-10-11-4-5-12(14)9-11/h1-3,7,11-12,14H,4-6,8-10H2,(H2,17,18,19)/t11-,12+,14+/m0/s1
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	1-[(1~{R},2~{R},4~{S})-2-bicyclo[2.2.1]heptanyl]-3-(2-pyridin-2-ylethyl)thiourea

YX1

YX1
Name:	2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucopyranose
Formula:	C8 H17 N3 O7
SMILES:	O=C(NC1C(O)C(O)C(OC1O)CO)N(NO)C
InChi:	InChI=1S/C8H17N3O7/c1-11(10-17)8(16)9-4-6(14)5(13)3(2-12)18-7(4)15/h3-7,10,12-15,17H,2H2,1H3,(H,9,16)/t3-,4-,5-,6-,7-/m1/s1
Synonyms:	2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucose
Definition date:	2008-05-29
Last modified:	2020-07-17
Identifier:	2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucopyranose

SW7

SW7
Name:	4-methylbenzamide
Formula:	C8 H9 N O
SMILES:	Cc1ccc(cc1)C(N)=O
InChi:	InChI=1S/C8H9NO/c1-6-2-4-7(5-3-6)8(9)10/h2-5H,1H3,(H2,9,10)
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-methylbenzamide

YIO

YIO
Name:	1-thio-beta-D-galactopyranose
Formula:	C6 H12 O5 S
SMILES:	OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3+,4+,5-,6+/m1/s1
Synonyms:	(2R,3R,4S,5R,6S)-2-(HYDROXYMETHYL)-6-SULFANYL-OXANE-3,4,5-TRIOL
Definition date:	2011-05-16
Last modified:	2020-07-17
Identifier:	(2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol

SWD

SWD
Name:	4-chloranylthieno[3,2-d]pyrimidine
Formula:	C6 H3 Cl N2 S
SMILES:	Clc1ncnc2ccsc12
InChi:	InChI=1S/C6H3ClN2S/c7-6-5-4(1-2-10-5)8-3-9-6/h1-3H
Definition date:	2020-03-11
Last modified:	2020-07-17
Release date:	2020-07-22
Identifier:	4-chloranylthieno[3,2-d]pyrimidine

SWE

SWE
Name:	alpha-D-fructofuranosyl alpha-D-glucopyranoside
Formula:	C12 H22 O11
SMILES:	O1C(CO)C(O)C(O)C(O)C1OC2(OC(C(O)C2O)CO)CO
InChi:	InChI=1S/C12H22O11/c13-1-4-6(16)8(18)9(19)11(21-4)23-12(3-15)10(20)7(17)5(2-14)22-12/h4-11,13-20H,1-3H2/t4-,5-,6-,7-,8+,9-,10+,11-,12-/m1/s1
Definition date:	2009-09-17
Last modified:	2020-07-17
Identifier:	alpha-D-fructofuranosyl alpha-D-glucopyranoside

WOO

WOO
Name:	beta-L-allopyranose
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:	beta-L-allose
Definition date:	2014-07-23
Last modified:	2020-07-17
Release date:	2015-04-29
Identifier:	beta-L-allopyranose

YYH

YYH
Name:	7-deoxy-L-glycero-alpha-D-manno-heptopyranose
Formula:	C7 H14 O6
SMILES:	OC1C(O)C(OC(O)C1O)C(O)C
InChi:	InChI=1S/C7H14O6/c1-2(8)6-4(10)3(9)5(11)7(12)13-6/h2-12H,1H3/t2-,3-,4-,5-,6+,7-/m0/s1
Definition date:	2012-12-17
Last modified:	2020-07-17
Release date:	2020-07-29
Identifier:	7-deoxy-L-glycero-alpha-D-manno-heptopyranose

IPT

IPT
Name:	1-methylethyl 1-thio-beta-D-galactopyranoside
Formula:	C9 H18 O5 S
SMILES:	S(C(C)C)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C9H18O5S/c1-4(2)15-9-8(13)7(12)6(11)5(3-10)14-9/h4-13H,3H2,1-2H3/t5-,6+,7+,8-,9+/m1/s1
Synonyms:	ISOPROPYL-1-BETA-D-THIOGALACTOSIDE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	1-methylethyl 1-thio-beta-D-galactopyranoside

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

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

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

XLS

XLS
Name:	D-xylose
Formula:	C5 H10 O5
SMILES:	O=CC(O)C(O)C(O)CO
InChi:	InChI=1S/C5H10O5/c6-1-3(8)5(10)4(9)2-7/h1,3-5,7-10H,2H2/t3-,4+,5+/m0/s1
Synonyms:	D-XYLOSE (LINEAR FORM)
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	D-xylose

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

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

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