Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
SZZ
SZZ
Name:Sinigrin
Formula:C10 H17 N O9 S2
SMILES:OC[CH]1O[CH](SC(CC=C)=NO[S](O)(=O)=O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C10H17NO9S2/c1-2-3-6(11-20-22(16,17)18)21-10-9(15)8(14)7(13)5(4-12)19-10/h2,5,7-10,12-15H,1,3-4H2,(H,16,17,18)/b11-6+/t5-,7-,8+,9-,10+/m1/s1
Definition date:2016-11-16
Last modified:2020-07-17
Release date:2017-07-05
Identifier:[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl] (1~{E})-~{N}-sulfooxybut-3-enimidothioate
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
PRP
PRP
Name:1-O-pyrophosphono-5-O-phosphono-alpha-D-ribofuranose
Formula:C5 H13 O14 P3
SMILES:O=P(OC1OC(C(O)C1O)COP(=O)(O)O)(O)OP(=O)(O)O
InChi:InChI=1S/C5H13O14P3/c6-3-2(1-16-20(8,9)10)17-5(4(3)7)18-22(14,15)19-21(11,12)13/h2-7H,1H2,(H,14,15)(H2,8,9,10)(H2,11,12,13)/t2-,3-,4-,5-/m1/s1
Synonyms:ALPHA-PHOSPHORIBOSYLPYROPHOSPHORIC ACID
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:1-O-[(R)-hydroxy(phosphonooxy)phosphoryl]-5-O-phosphono-alpha-D-ribofuranose
Z2D
Z2D
Name:alpha-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:alpha-L-allose
Definition date:2012-12-17
Last modified:2020-07-17
Release date:2020-07-29
Identifier:alpha-L-allopyranose
Z2T
Z2T
Name:(1S)-1,5-anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-D-glucitol
Formula:C13 H17 Cl O7
SMILES:Clc1cc(OC)cc(c1O)C2OC(CO)C(O)C(O)C2O
InChi:InChI=1S/C13H17ClO7/c1-20-5-2-6(9(16)7(14)3-5)13-12(19)11(18)10(17)8(4-15)21-13/h2-3,8,10-13,15-19H,4H2,1H3/t8-,10-,11+,12-,13+/m1/s1
Definition date:2010-07-01
Last modified:2020-07-17
Identifier:(1S)-1,5-anhydro-1-(3-chloro-2-hydroxy-5-methoxyphenyl)-D-glucitol
5N6
5N6
Name:9-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosonic acid
Formula:C13 H21 N O10
SMILES:CC(=O)N[CH]1[CH](O)C[C](O)(O[CH]1[CH](O)[CH](O)COC(C)=O)C(O)=O
InChi:InChI=1S/C13H21NO10/c1-5(15)14-9-7(17)3-13(22,12(20)21)24-11(9)10(19)8(18)4-23-6(2)16/h7-11,17-19,22H,3-4H2,1-2H3,(H,14,15)(H,20,21)/t7-,8+,9+,10+,11+,13+/m0/s1
Synonyms:(2~{R},4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{R})-3-acetyloxy-1,2-bis(oxidanyl)propyl]-2,4-bis(oxidanyl)oxane-2-ca rboxylic acid
Definition date:2015-10-27
Last modified:2020-07-17
Release date:2016-03-23
Identifier:(2~{R},4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{R})-3-acetyloxy-1,2-bis(oxidanyl)propyl]-2,4-bis(oxidanyl)oxane-2-ca rboxylic acid
Z3K
Z3K
Name:(1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-D-glucitol
Formula:C12 H19 N O10 S
SMILES:O=S(=O)(N)C1OC(C(O)C(OC(=O)C)C1OC(=O)C)COC(=O)C
InChi:InChI=1S/C12H19NO10S/c1-5(14)20-4-8-9(17)10(21-6(2)15)11(22-7(3)16)12(23-8)24(13,18)19/h8-12,17H,4H2,1-3H3,(H2,13,18,19)/t8-,9-,10+,11-,12+/m1/s1
Definition date:2012-12-18
Last modified:2020-07-17
Release date:2020-07-29
Identifier:(1S)-2,3,6-tri-O-acetyl-1,5-anhydro-1-sulfamoyl-D-glucitol
Z3L
Z3L
Name:2,3,4,6-tetra-O-acetyl-beta-D-galactopyranose
Formula:C14 H20 O10
SMILES:O=C(OCC1OC(O)C(OC(=O)C)C(OC(=O)C)C1OC(=O)C)C
InChi:InChI=1S/C14H20O10/c1-6(15)20-5-10-11(21-7(2)16)12(22-8(3)17)13(14(19)24-10)23-9(4)18/h10-14,19H,5H2,1-4H3/t10-,11+,12+,13-,14-/m1/s1
Definition date:2012-12-17
Last modified:2020-07-17
Release date:2020-07-29
Identifier:2,3,4,6-tetra-O-acetyl-beta-D-galactopyranose
TTV
TTV
Name:beta-D-psicofuranose
Formula:C6 H12 O6
SMILES:OC1(CO)OC(CO)C(O)C1O
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-/m1/s1
Synonyms:beta-D-psicose
Definition date:2020-03-30
Last modified:2020-07-17
Release date:2020-07-29
Identifier:beta-D-psicofuranose
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
Z3Q
Z3Q
Name:2-azidoethyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Formula:C10 H18 N4 O6
SMILES:O=C(NC1C(O)C(O)C(OC1OCCN=[N+]=[N-])CO)C
InChi:InChI=1S/C10H18N4O6/c1-5(16)13-7-9(18)8(17)6(4-15)20-10(7)19-3-2-12-14-11/h6-10,15,17-18H,2-4H2,1H3,(H,13,16)/t6-,7-,8-,9-,10-/m1/s1
Synonyms:2-azidoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
Definition date:2012-12-20
Last modified:2020-07-17
Release date:2016-03-23
Identifier:2-azidoethyl 2-(acetylamino)-2-deoxy-beta-D-glucopyranoside
TTZ
TTZ
Name:N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucopyranosylamine
Formula:C13 H22 N2 O9 S
SMILES:OC2C(O)C(O)(C1N=C(SC12)NC3OC(CO)C(O)C(O)C3O)CO
InChi:InChI=1S/C13H22N2O9S/c16-1-3-4(18)5(19)6(20)11(24-3)15-12-14-9-8(25-12)7(21)10(22)13(9,23)2-17/h3-11,16-23H,1-2H2,(H,14,15)/t3-,4-,5+,6-,7-,8-,9-,10+,11+,13+/m1/s1
Synonyms:N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucosylamine
Definition date:2007-02-07
Last modified:2020-07-17
Identifier:N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucopyranosylamine
Z3U
Z3U
Name:beta-D-Digitoxopyranose
Formula:C6 H12 O4
SMILES:OC1C(OC(O)CC1O)C
InChi:InChI=1S/C6H12O4/c1-3-6(9)4(7)2-5(8)10-3/h3-9H,2H2,1H3/t3-,4+,5-,6-/m1/s1
Synonyms:beta-D-Digitoxose
Definition date:2012-12-17
Last modified:2020-07-17
Release date:2020-07-29
Identifier:2,6-dideoxy-beta-D-ribo-hexopyranose
PSG
PSG
Name:4-nitrophenyl 1-thio-beta-D-glucopyranoside
Formula:C12 H15 N O7 S
SMILES:[O-][N+](=O)c2ccc(SC1OC(C(O)C(O)C1O)CO)cc2
InChi:InChI=1S/C12H15NO7S/c14-5-8-9(15)10(16)11(17)12(20-8)21-7-3-1-6(2-4-7)13(18)19/h1-4,8-12,14-17H,5H2/t8-,9-,10+,11-,12+/m1/s1
Synonyms:PARA-NITROPHENYL 1-THIO-BETA-D-GLUCOPYRANOSIDE
Definition date:2000-05-03
Last modified:2020-07-17
Identifier:4-nitrophenyl 1-thio-beta-D-glucopyranoside
TU4
TU4
Name:3-O-octanoyl-alpha-D-glucopyranose
Formula:C14 H26 O7
SMILES:C(CCCCCCC)(OC1C(C(O)OC(C1O)CO)O)=O
InChi:InChI=1S/C14H26O7/c1-2-3-4-5-6-7-10(16)21-13-11(17)9(8-15)20-14(19)12(13)18/h9,11-15,17-19H,2-8H2,1H3/t9-,11-,12-,13+,14+/m1/s1
Definition date:2020-03-31
Last modified:2020-07-17
Release date:2020-07-29
Identifier:3-O-octanoyl-alpha-D-glucopyranose
TFU
TFU
Name:methyl 1-seleno-beta-L-fucopyranoside
Formula:C7 H14 O4 Se
SMILES:C[Se][CH]1O[CH](C)[CH](O)[CH](O)[CH]1O
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:(2S,3S,4R,5S,6R)-2-methyl-6-methylselanyl-oxane-3,4,5-triol
Definition date:2015-11-12
Last modified:2020-07-17
Release date:2016-06-29
Identifier:(2~{S},3~{S},4~{R},5~{S},6~{R})-2-methyl-6-methylselanyl-oxane-3,4,5-triol
Z4K
Z4K
Name:2-O-sulfo-alpha-D-glucopyranose
Formula:C6 H12 O9 S
SMILES:O=S(=O)(OC1C(O)C(O)C(OC1O)CO)O
InChi:InChI=1S/C6H12O9S/c7-1-2-3(8)4(9)5(6(10)14-2)15-16(11,12)13/h2-10H,1H2,(H,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
Synonyms:2-O-sulfo-alpha-D-glucose
Definition date:2012-12-17
Last modified:2020-07-17
Release date:2016-11-02
Identifier:2-O-sulfo-alpha-D-glucopyranose
Z4R
Z4R
Name:methyl 3-thio-alpha-D-mannopyranoside
Formula:C7 H14 O5 S
SMILES:OC1C(S)C(O)C(OC1OC)CO
InChi:InChI=1S/C7H14O5S/c1-11-7-5(10)6(13)4(9)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
Definition date:2012-12-19
Last modified:2020-07-17
Release date:2020-07-29
Identifier:methyl 3-thio-alpha-D-mannopyranoside
Z4S
Z4S
Name:1,6-anhydro-N-acetyl-beta-D-glucopyranosamine
Formula:C8 H13 N O5
SMILES:O=C(NC2C(O)C(O)C1OC2OC1)C
InChi:InChI=1S/C8H13NO5/c1-3(10)9-5-7(12)6(11)4-2-13-8(5)14-4/h4-8,11-12H,2H2,1H3,(H,9,10)/t4-,5-,6-,7-,8-/m1/s1
Synonyms:N-[(1R,2S,3R,4R,5R)-2,3-bis(oxidanyl)-6,8-dioxabicyclo[3.2.1]octan-4-yl]ethanamide
Definition date:2012-12-18
Last modified:2020-07-17
Release date:2018-03-14
Identifier:N-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]oct-4-yl]acetamide (non-preferred name)
Z4U
Z4U
Name:methyl 4-thio-alpha-D-xylopyranoside
Formula:C6 H12 O4 S
SMILES:OC1C(O)C(S)COC1OC
InChi:InChI=1S/C6H12O4S/c1-9-6-5(8)4(7)3(11)2-10-6/h3-8,11H,2H2,1H3/t3-,4+,5-,6+/m1/s1
Definition date:2012-12-18
Last modified:2020-07-17
Release date:2020-07-29
Identifier:methyl 4-thio-alpha-D-xylopyranoside
Z4V
Z4V
Name:4-thio-beta-L-ribopyranose
Formula:C5 H10 O4 S
SMILES:OC1C(S)COC(O)C1O
InChi:InChI=1S/C5H10O4S/c6-3-2(10)1-9-5(8)4(3)7/h2-8,10H,1H2/t2-,3-,4-,5-/m0/s1
Definition date:2012-12-18
Last modified:2020-07-17
Release date:2020-07-29
Identifier:4-thio-beta-L-ribopyranose
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
TUG
TUG
Name:3,4-di-O-sulfo-alpha-D-altropyranose
Formula:C6 H12 O12 S2
SMILES:OCC1OC(C(C(C1OS(=O)(O)=O)OS(=O)(O)=O)O)O
InChi:InChI=1S/C6H12O12S2/c7-1-2-4(17-19(10,11)12)5(18-20(13,14)15)3(8)6(9)16-2/h2-9H,1H2,(H,10,11,12)(H,13,14,15)/t2-,3+,4-,5+,6+/m1/s1
Definition date:2020-03-31
Last modified:2020-07-17
Release date:2020-07-29
Identifier:3,4-di-O-sulfo-alpha-D-altropyranose
PSV
PSV
Name:alpha-D-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+/m1/s1
Synonyms:alpha-D-psicose
Definition date:2009-09-10
Last modified:2020-07-17
Identifier:alpha-D-psicofuranose
Z57
Z57
Name:(1S)-1,5-anhydro-1-(4-bromo-2,5-dihydroxyphenyl)-D-glucitol
Formula:C12 H15 Br O7
SMILES:Brc1c(O)cc(c(O)c1)C2OC(CO)C(O)C(O)C2O
InChi:InChI=1S/C12H15BrO7/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-bromo-2,5-dihydroxyphenyl)-D-glucitol

245663

数据于2025-12-03公开中

PDB statisticsPDBj update infoContact PDBjnumon