Chemie Search results for query - Protein Data Bank Japan

English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

PDB Info pages Status search Chemie search: 35455 results BIRD

IDR

IDR
Name:	alpha-L-idopyranuronic acid
Formula:	C6 H10 O7
SMILES:	O=C(O)C1OC(O)C(O)C(O)C1O
InChi:	InChI=1S/C6H10O7/c7-1-2(8)4(5(10)11)13-6(12)3(1)9/h1-4,6-9,12H,(H,10,11)/t1-,2-,3+,4+,6+/m0/s1
Synonyms:	alpha-L-iduronic acid
Definition date:	2000-12-12
Last modified:	2020-07-17
Identifier:	alpha-L-idopyranuronic acid

IDS

IDS
Name:	2-O-sulfo-alpha-L-idopyranuronic acid
Formula:	C6 H10 O10 S
SMILES:	O=S(=O)(OC1C(O)C(O)C(OC1O)C(=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
Synonyms:	O2-SULFO-GLUCURONIC ACID
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2-O-sulfo-alpha-L-idopyranuronic acid

IDU

IDU
Name:	2-O-sulfo-beta-L-altropyranuronic acid
Formula:	C6 H10 O10 S
SMILES:	O=C(O)C1OC(O)C(OS(=O)(=O)O)C(O)C1O
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+/m1/s1
Synonyms:	2-O-sulfo-beta-L-altruronic acid
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	2-O-sulfo-beta-L-altropyranuronic acid

IDX

IDX
Name:	2-O-sulfo-alpha-L-gulopyranuronic acid
Formula:	C6 H10 O10 S
SMILES:	O=S(=O)(OC1C(O)C(O)C(OC1O)C(=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
Synonyms:	2-O-sulfo-alpha-L-guluronic acid
Definition date:	2008-06-13
Last modified:	2020-07-17
Identifier:	2-O-sulfo-alpha-L-gulopyranuronic acid

IDY

IDY
Name:	1-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid
Formula:	C7 H12 O10 S
SMILES:	O=C(O)C1OC(OC)C(OS(=O)(=O)O)C(O)C1O
InChi:	InChI=1S/C7H12O10S/c1-15-7-5(17-18(12,13)14)3(9)2(8)4(16-7)6(10)11/h2-5,7-9H,1H3,(H,10,11)(H,12,13,14)/t2-,3-,4+,5+,7+/m0/s1
Synonyms:	methyl 2-O-sulfo-alpha-L-idopyranosiduronic acid
Definition date:	2011-11-03
Last modified:	2020-07-17
Release date:	2012-11-23
Identifier:	methyl 2-O-sulfo-alpha-L-idopyranosiduronic acid

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

6S2

6S2
Name:	methyl 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranoside
Formula:	C9 H17 N O9 S
SMILES:	OC1C(OC(C(C1O)NC(C)=O)OC)COS(O)(=O)=O
InChi:	InChI=1S/C9H17NO9S/c1-4(11)10-6-8(13)7(12)5(19-9(6)17-2)3-18-20(14,15)16/h5-9,12-13H,3H2,1-2H3,(H,10,11)(H,14,15,16)/t5-,6-,7-,8-,9-/m1/s1
Synonyms:	methyl 2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranoside
Definition date:	2015-03-04
Last modified:	2020-07-17
Release date:	2016-04-06
Identifier:	methyl 2-(acetylamino)-2-deoxy-6-O-sulfo-beta-D-glucopyranoside

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

6YR

6YR
Name:	methyl 1-seleno-2-O-methyl-beta-L-fucopyranoside
Formula:	C8 H16 O4 Se
SMILES:	CO[CH]1[CH](O)[CH](O)[CH](C)O[CH]1[Se]C
InChi:	InChI=1S/C8H16O4Se/c1-4-5(9)6(10)7(11-2)8(12-4)13-3/h4-10H,1-3H3/t4-,5+,6+,7-,8+/m0/s1
Synonyms:	2-O-methyl-methyl-seleno-L-fucopyranoside
Definition date:	2016-01-04
Last modified:	2020-07-17
Release date:	2017-03-29
Identifier:	(2S,3S,4R,5S,6R)-5-methoxy-2-methyl-6-methylselanyl-oxane-3,4-diol

6ZC

6ZC
Name:	4-nitrophenyl 2-acetamido-2-deoxy-alpha-D-glucopyranoside
Formula:	C14 H18 N2 O8
SMILES:	CC(=O)N[CH]1[CH](O)[CH](O)[CH](CO)O[CH]1Oc2ccc(cc2)[N+]([O-])=O
InChi:	InChI=1S/C14H18N2O8/c1-7(18)15-11-13(20)12(19)10(6-17)24-14(11)23-9-4-2-8(3-5-9)16(21)22/h2-5,10-14,17,19-20H,6H2,1H3,(H,15,18)/t10-,11-,12-,13-,14+/m1/s1
Synonyms:	N-[(2R,3R,4R,5S,6R)-6-(hydroxymethyl)-2-(4-nitrophenoxy)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide
Definition date:	2016-07-29
Last modified:	2020-07-17
Release date:	2016-08-10
Identifier:	~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-2-(4-nitrophenoxy)-4,5-bis(oxidanyl)oxan-3-yl]ethanamide

VG1

VG1
Name:	ALPHA-D-GLUCOSE-1-PHOSPHATE-6-VANADATE
Formula:	C6 H13 O12 P V
SMILES:	O=P(OC1OC(C(O)C(O)C1O)CO[V](=O)(=O)O)(O)O
InChi:	InChI=1S/C6H12O9P.H2O.2O.V/c7-1-2-3(8)4(9)5(10)6(14-2)15-16(11,12)13
Definition date:	1999-08-24
Last modified:	2020-07-17
Identifier:	hydroxy(dioxo)(1-O-phosphono-alpha-D-glucopyranosato-kappaO~6~)vanadium

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

8B7

8B7
Name:	6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose
Formula:	C18 H32 O15
SMILES:	C3(OC2C(OC1C(C(C(OC1CO)O)O)O)OC(C(C2O)O)CO)C(O)C(O)C(O)C(O3)C
InChi:	InChI=1S/C18H32O15/c1-4-7(21)9(23)13(27)17(29-4)33-15-10(24)8(22)5(2-19)31-18(15)32-14-6(3-20)30-16(28)12(26)11(14)25/h4-28H,2-3H2,1H3/t4-,5+,6+,7+,8-,9+,10-,11+,12+,13-,14+,15+,16+,17-,18-/m0/s1
Definition date:	2017-01-17
Last modified:	2020-07-17
Release date:	2017-10-18
Identifier:	6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-beta-D-glucopyranose

8B9

8B9
Name:	2-acetamido-2,4-dideoxy-alpha-D-xylo-hexopyranose
Formula:	C8 H15 N O5
SMILES:	CC(=O)N[CH]1[CH](O)C[CH](CO)O[CH]1O
InChi:	InChI=1S/C8H15NO5/c1-4(11)9-7-6(12)2-5(3-10)14-8(7)13/h5-8,10,12-13H,2-3H2,1H3,(H,9,11)/t5-,6-,7+,8-/m0/s1
Synonyms:	N-[(2S,3R,4S,6S)-6-(hydroxymethyl)-2,4-bis(oxidanyl)oxan-3-yl]ethanamide
Definition date:	2017-06-02
Last modified:	2020-07-17
Release date:	2017-10-25
Identifier:	~{N}-[(2~{S},3~{R},4~{S},6~{S})-6-(hydroxymethyl)-2,4-bis(oxidanyl)oxan-3-yl]ethanamide

8EX

8EX
Name:	2-acetamido-2-deoxy-4,6-di-O-sulfo-beta-D-galactopyranose
Formula:	C8 H15 N O12 S2
SMILES:	CC(=O)N[CH]1[CH](O)O[CH](CO[S](O)(=O)=O)[CH](O[S](O)(=O)=O)[CH]1O
InChi:	InChI=1S/C8H15NO12S2/c1-3(10)9-5-6(11)7(21-23(16,17)18)4(20-8(5)12)2-19-22(13,14)15/h4-8,11-12H,2H2,1H3,(H,9,10)(H,13,14,15)(H,16,17,18)/t4-,5-,6-,7+,8-/m1/s1
Synonyms:	[(2R,3R,4R,5R,6R)-5-acetamido-4,6-bis(oxidanyl)-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate
Definition date:	2017-06-22
Last modified:	2020-07-17
Release date:	2018-01-17
Identifier:	[(2~{R},3~{R},4~{R},5~{R},6~{R})-5-acetamido-4,6-bis(oxidanyl)-2-(sulfooxymethyl)oxan-3-yl] hydrogen sulfate

8GA

8GA
Name:	5-Se-methyl-5-seleno-alpha-D-ribofuranose
Formula:	C6 H12 O4 Se
SMILES:	C[Se]CC1OC(O)C(O)C1O
InChi:	InChI=1S/C6H12O4Se/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1
Synonyms:	5-Se-methyl-5-seleno-alpha-D-ribose
Definition date:	2017-02-04
Last modified:	2020-07-17
Release date:	2018-09-12
Identifier:	5-Se-methyl-5-seleno-alpha-D-ribofuranose

8GG

8GG
Name:	5-Se-methyl-5-seleno-beta-D-ribofuranose
Formula:	C6 H12 O4 Se
SMILES:	O1C(C[Se]C)C(C(C1O)O)O
InChi:	InChI=1S/C6H12O4Se/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6-/m1/s1
Synonyms:	5-Se-methyl-5-seleno-beta-D-ribose
Definition date:	2017-02-04
Last modified:	2020-07-17
Release date:	2018-09-12
Identifier:	5-Se-methyl-5-seleno-beta-D-ribofuranose

8GP

8GP
Name:	N-[(cyclopropylamino)(oxo)acetyl]-beta-D-glucopyranosylamine
Formula:	C11 H18 N2 O7
SMILES:	O=C(NC1OC(C(O)C(O)C1O)CO)C(=O)NC2CC2
InChi:	InChI=1S/C11H18N2O7/c14-3-5-6(15)7(16)8(17)11(20-5)13-10(19)9(18)12-4-1-2-4/h4-8,11,14-17H,1-3H2,(H,12,18)(H,13,19)/t5-,6-,7+,8-,11-/m1/s1
Synonyms:	N-(BETA-D-GLUCOPYRANOSYL)-N'-CYCLOPROPYL OXALAMIDE
Definition date:	2006-01-25
Last modified:	2020-07-17
Identifier:	N-[(cyclopropylamino)(oxo)acetyl]-beta-D-glucopyranosylamine

VTB

VTB
Name:	7-O-phosphono-alpha-L-galacto-hept-2-ulopyranose
Formula:	C7 H15 O10 P
SMILES:	OC[C]1(O)O[CH](CO[P](O)(O)=O)[CH](O)[CH](O)[CH]1O
InChi:	InChI=1S/C7H15O10P/c8-2-7(12)6(11)5(10)4(9)3(17-7)1-16-18(13,14)15/h3-6,8-12H,1-2H2,(H2,13,14,15)/t3-,4+,5+,6-,7+/m0/s1
Synonyms:	[(2~{S},3~{S},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate
Definition date:	2015-06-19
Last modified:	2020-07-17
Release date:	2015-10-14
Identifier:	[(2~{S},3~{S},4~{R},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl dihydrogen phosphate

MG5

MG5
Name:	2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose
Formula:	C15 H25 N O11 S
SMILES:	O=S(=O)(OCC1OC(O)C(OC(=O)CC)C(OC(=O)CC)C1OC(=O)CC)N
InChi:	InChI=1S/C15H25NO11S/c1-4-9(17)25-12-8(7-23-28(16,21)22)24-15(20)14(27-11(19)6-3)13(12)26-10(18)5-2/h8,12-15,20H,4-7H2,1-3H3,(H2,16,21,22)/t8-,12-,13+,14-,15-/m1/s1
Synonyms:	2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucose
Definition date:	2011-08-30
Last modified:	2020-07-17
Identifier:	2,3,4-tri-O-propanoyl-6-O-sulfamoyl-beta-D-glucopyranose

MGC

MGC
Name:	methyl 2-acetamido-2-deoxy-alpha-D-galactopyranoside
Formula:	C9 H17 N O6
SMILES:	O=C(NC1C(O)C(O)C(OC1OC)CO)C
InChi:	InChI=1S/C9H17NO6/c1-4(12)10-6-8(14)7(13)5(3-11)16-9(6)15-2/h5-9,11,13-14H,3H2,1-2H3,(H,10,12)/t5-,6-,7+,8-,9+/m1/s1
Synonyms:	ALPHA-METHYL-N-ACETYL-D-GALACTOSAMINE
Definition date:	2003-07-02
Last modified:	2020-07-17
Identifier:	methyl 2-(acetylamino)-2-deoxy-alpha-D-galactopyranoside

MGL

MGL
Name:	methyl beta-D-glucopyranoside
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
Synonyms:	O1-METHYL-GLUCOSE
Definition date:	1999-07-08
Last modified:	2020-07-17
Identifier:	methyl beta-D-glucopyranoside

8LM

8LM
Name:	2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni c acid
Formula:	C21 H26 N4 O8
SMILES:	C(=O)(NC1C(O)C(=C(C(O)=O)OC1C(C(CO)O)O)n3cc(c2ccccc2)nn3)C(C)C
InChi:	InChI=1S/C21H26N4O8/c1-10(2)20(30)22-14-17(29)15(19(21(31)32)33-18(14)16(28)13(27)9-26)25-8-12(23-24-25)11-6-4-3-5-7-11/h3-8,10,13-14,16-18,26-29H,9H2,1-2H3,(H,22,30)(H,31,32)/t13-,14-,16-,17-,18-/m1/s1
Definition date:	2017-02-15
Last modified:	2020-07-17
Release date:	2018-06-27
Identifier:	2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni c acid

8LR

8LR
Name:	2-hydroxyethyl alpha-D-mannopyranoside
Formula:	C8 H16 O7
SMILES:	O(CCO)C1OC(C(O)C(O)C1O)CO
InChi:	InChI=1S/C8H16O7/c9-1-2-14-8-7(13)6(12)5(11)4(3-10)15-8/h4-13H,1-3H2/t4-,5-,6+,7+,8+/m1/s1
Synonyms:	2-hydroxyethyl alpha-D-mannoside
Definition date:	2014-04-22
Last modified:	2020-07-17
Release date:	2015-04-22
Identifier:	2-hydroxyethyl alpha-D-mannopyranoside

MJJ

MJJ
Name:	methyl 9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
Formula:	C14 H23 N O10
SMILES:	OC1C(NC(C)=O)C(OC(C1)(C(O)=O)OC)C(C(O)COC(=O)C)O
InChi:	InChI=1S/C14H23NO10/c1-6(16)15-10-8(18)4-14(23-3,13(21)22)25-12(10)11(20)9(19)5-24-7(2)17/h8-12,18-20H,4-5H2,1-3H3,(H,15,16)(H,21,22)/t8-,9+,10+,11+,12+,14+/m0/s1
Synonyms:	methyl 9-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
Definition date:	2019-04-08
Last modified:	2020-07-17
Release date:	2019-06-05
Identifier:	methyl 9-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid

<575 576 577 578 579 580 581582583 584 585 586 587 588 589 590 >

224572

PDB entries from 2024-09-04

PDB statistics

PDBj update info

Contact PDBj

numon