Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
ZD0
ZD0
Name:methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-alpha-D-mannopyranoside
Formula:C11 H21 N O7
SMILES:O=C(NC1C(OC(OC)C(O)C1O)C)C(O)CCO
InChi:InChI=1S/C11H21NO7/c1-5-7(12-10(17)6(14)3-4-13)8(15)9(16)11(18-2)19-5/h5-9,11,13-16H,3-4H2,1-2H3,(H,12,17)/t5-,6-,7-,8+,9+,11+/m1/s1
Definition date:2012-12-17
Last modified:2020-07-17
Release date:2020-07-29
Identifier:methyl 4,6-dideoxy-4-{[(2R)-2,4-dihydroxybutanoyl]amino}-alpha-D-mannopyranoside
SR1
SR1
Name:5-S-methyl-5-thio-alpha-D-ribofuranose
Formula:C6 H12 O4 S
SMILES:OC1C(OC(O)C1O)CSC
InChi:InChI=1S/C6H12O4S/c1-11-2-3-4(7)5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4-,5-,6+/m1/s1
Synonyms:5-S-methyl-5-thio-alpha-D-ribose
Definition date:2005-03-31
Last modified:2020-07-17
Identifier:5-S-methyl-5-thio-alpha-D-ribofuranose
UDC
UDC
Name:2-acetamido-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose
Formula:C13 H23 N O10
SMILES:O=C(O)C(OC1C(O)C(OC(O)C1NC(=O)C)CO)(C)C(O)CO
InChi:InChI=1S/C13H23NO10/c1-5(17)14-8-10(9(19)6(3-15)23-11(8)20)24-13(2,12(21)22)7(18)4-16/h6-11,15-16,18-20H,3-4H2,1-2H3,(H,14,17)(H,21,22)/t6-,7+,8-,9-,10-,11+,13+/m1/s1
Synonyms:2-(acetylamino)-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose
Definition date:2007-05-31
Last modified:2020-07-17
Identifier:2-(acetylamino)-3-O-[(2S,3S)-2-carboxy-3,4-dihydroxybutan-2-yl]-2-deoxy-alpha-D-glucopyranose
SR4
SR4
Name:2,3-dihydro-1-benzoxepine-5-carboxylic acid
Formula:C11 H10 O3
SMILES:OC(=O)C1=CCCOc2ccccc12
InChi:InChI=1S/C11H10O3/c12-11(13)9-5-3-7-14-10-6-2-1-4-8(9)10/h1-2,4-6H,3,7H2,(H,12,13)
Definition date:2020-03-11
Last modified:2020-07-17
Release date:2020-07-22
Identifier:2,3-dihydro-1-benzoxepine-5-carboxylic acid
XMM
XMM
Name:5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside
Formula:C14 H15 Br Cl N O6
SMILES:Brc3ccc2c(c(OC1OC(C(O)C(O)C1O)CO)cn2)c3Cl
InChi:InChI=1S/C14H15BrClNO6/c15-5-1-2-6-9(10(5)16)7(3-17-6)22-14-13(21)12(20)11(19)8(4-18)23-14/h1-3,8,11-14,17-21H,4H2/t8-,11-,12+,13+,14+/m1/s1
Synonyms:(2R,3S,4S,5S,6R)-2-(5-BROMO-4-CHLORO-1H-INDOL-3-YLOXY)-TETRAHYDRO-6-(HYDROXYMETHYL)-2H-PYRAN-3,4,5-TRIOL
Definition date:2005-04-26
Last modified:2020-07-17
Identifier:5-bromo-4-chloro-1H-indol-3-yl alpha-D-mannopyranoside
TYV
TYV
Name:alpha-D-Tyvelopyranose
Formula:C6 H12 O4
SMILES:OC1C(OC(O)C(O)C1)C
InChi:InChI=1S/C6H12O4/c1-3-4(7)2-5(8)6(9)10-3/h3-9H,2H2,1H3/t3-,4+,5+,6+/m1/s1
Synonyms:alpha-D-Tyvelose
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:3,6-dideoxy-alpha-D-arabino-hexopyranose
ZDO
ZDO
Name:methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside
Formula:C7 H15 N O11 S2
SMILES:O=S(=O)(O)OCC1OC(OC)C(NS(=O)(=O)O)C(O)C1O
InChi:InChI=1S/C7H15NO11S2/c1-17-7-4(8-20(11,12)13)6(10)5(9)3(19-7)2-18-21(14,15)16/h3-10H,2H2,1H3,(H,11,12,13)(H,14,15,16)/t3-,4-,5-,6-,7+/m1/s1
Definition date:2012-12-19
Last modified:2020-07-17
Release date:2020-07-29
Identifier:methyl 2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranoside
SRJ
SRJ
Name:(3~{S})-2-(cyclopropylmethyl)-3-[(~{S})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol
Formula:C18 H25 N O2
SMILES:O[CH]([CH]1N(CC2CC2)C3CCC1(O)CC3)c4ccccc4
InChi:InChI=1S/C18H25NO2/c20-16(14-4-2-1-3-5-14)17-18(21)10-8-15(9-11-18)19(17)12-13-6-7-13/h1-5,13,15-17,20-21H,6-12H2/t15-,16-,17-,18-/m0/s1
Definition date:2020-03-11
Last modified:2020-07-17
Release date:2020-07-22
Identifier:(3~{S})-2-(cyclopropylmethyl)-3-[(~{S})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol
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
DQR
DQR
Name:beta-D-fructofuranosyl-(2->1)-beta-D-fructofuranosyl alpha-D-glucopyranoside
Formula:C18 H32 O16
SMILES:O1C(CO)C(O)C(O)C(O)C1OC2(OC(C(O)C2O)CO)COC3(OC(CO)C(O)C3O)CO
InChi:InChI=1S/C18H32O16/c19-1-6-9(23)12(26)13(27)16(31-6)34-18(15(29)11(25)8(3-21)33-18)5-30-17(4-22)14(28)10(24)7(2-20)32-17/h6-16,19-29H,1-5H2/t6-,7-,8-,9-,10-,11-,12+,13-,14+,15+,16-,17-,18+/m1/s1
Synonyms:1-KESTOSE
Definition date:2005-08-29
Last modified:2020-07-17
Identifier:beta-D-fructofuranosyl-(2->1)-beta-D-fructofuranosyl alpha-D-glucopyranoside
ZEE
ZEE
Name:beta-L-talopyranose
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-talose
Definition date:2012-12-17
Last modified:2020-07-17
Release date:2020-07-29
Identifier:beta-L-talopyranose
SCR
SCR
Name:SUCROSE OCTASULFATE
Formula:C12 H22 O35 S8
SMILES:O=S(=O)(O)OC1C(OC(COS(=O)(=O)O)C(OS(=O)(=O)O)C1OS(=O)(=O)O)OC2(OC(C(OS(=O)(=O)O)C2OS(=O)(=O)O)COS(=O)(=O)O)COS(=O)(=O)O
InChi:InChI=1S/C12H22O35S8/c13-48(14,15)37-1-4-6(43-51(22,23)24)8(45-53(28,29)30)9(46-54(31,32)33)11(40-4)42-12(3-39-50(19,20)21)10(47-55(34,35)36)7(44-52(25,26)27)5(41-12)2-38-49(16,17)18/h4-11H,1-3H2,(H,13,14,15)(H,16,17,18)(H,19,20,21)(H,22,23,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)(H,34,35,36)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:1,3,4,6-tetra-O-sulfo-beta-D-fructofuranosyl 2,3,4,6-tetra-O-sulfo-alpha-D-glucopyranoside
ZEL
ZEL
Name:methyl beta-D-altropyranoside
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-altropyranoside
RY7
RY7
Name:4,6-dideoxy-4-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranose
Formula:C13 H25 N O8
SMILES:C1(CC(C(C(C1O)O)O)CO)NC2C(C(C(O)OC2C)O)O
InChi:InChI=1S/C13H25NO8/c1-4-7(10(18)12(20)13(21)22-4)14-6-2-5(3-15)8(16)11(19)9(6)17/h4-21H,2-3H2,1H3/t4-,5-,6+,7-,8-,9+,10+,11+,12-,13+/m1/s1
Definition date:2020-03-02
Last modified:2020-07-17
Release date:2020-07-29
Identifier:4,6-dideoxy-4-{[(1S,2S,3S,4R,5R)-2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]amino}-alpha-D-glucopyranose
WUN
WUN
Name:2-amino-4-O-(4-chlorobenzyl)-2-deoxy-alpha-D-glucopyranose
Formula:C13 H18 Cl N O5
SMILES:Clc1ccc(cc1)COC2C(OC(O)C(N)C2O)CO
InChi:InChI=1S/C13H18ClNO5/c14-8-3-1-7(2-4-8)6-19-12-9(5-16)20-13(18)10(15)11(12)17/h1-4,9-13,16-18H,5-6,15H2/t9-,10-,11-,12-,13+/m1/s1
Synonyms:(2S,3R,4R,5S,6R)-3-azanyl-5-[(4-chlorophenyl)methoxy]-6-(hydroxymethyl)oxane-2,4-diol
Definition date:2012-07-30
Last modified:2020-07-17
Release date:2013-08-07
Identifier:2-amino-4-O-(4-chlorobenzyl)-2-deoxy-alpha-D-glucopyranose
UEA
UEA
Name:beta-D-sorbofuranose
Formula:C6 H12 O6
SMILES:OC1(C(C(C(O1)CO)O)O)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:beta-D-sorbose
Definition date:2020-05-09
Last modified:2020-07-17
Release date:2020-07-29
Identifier:beta-D-sorbofuranose
T68
T68
Name:N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
Formula:C13 H17 N3 O7
SMILES:O=C(NC1OC(C(O)C(O)C1O)CO)NC(=O)c2ncccc2
InChi:InChI=1S/C13H17N3O7/c17-5-7-8(18)9(19)10(20)12(23-7)16-13(22)15-11(21)6-3-1-2-4-14-6/h1-4,7-10,12,17-20H,5H2,(H2,15,16,21,22)/t7-,8-,9+,10-,12-/m1/s1
Synonyms:N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucosylamine
Definition date:2012-11-22
Last modified:2020-07-17
Release date:2013-12-11
Identifier:N-[(pyridin-2-ylcarbonyl)carbamoyl]-beta-D-glucopyranosylamine
DR2
DR2
Name:6-DEOXY-ALPHA-L-IDOPYRANOSYL-(1->2)-ALPHA-D-GLUCOPYRANOSYL-(1->4)-2-(ACETYLAMINO)-2-DEOXY-BETA-L-GULOPYRANOSE
Formula:C20 H35 N O15
SMILES:O=C(NC3C(O)C(OC2OC(C(O)C(O)C2OC1OC(C)C(O)C(O)C1O)CO)C(OC3O)CO)C
InChi:InChI=1S/C20H35NO15/c1-5-10(25)13(28)15(30)19(32-5)36-17-14(29)11(26)7(3-22)34-20(17)35-16-8(4-23)33-18(31)9(12(16)27)21-6(2)24/h5,7-20,22-23,25-31H,3-4H2,1-2H3,(H,21,24)/t5-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1
Synonyms:H TYPE II TRISACCHARIDE
Definition date:2005-05-11
Last modified:2020-07-17
Identifier:6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->4)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
DR3
DR3
Name:6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
Formula:C20 H35 N O15
SMILES:O=C(NC3C(OC2OC(C(O)C(O)C2OC1OC(C)C(O)C(O)C1O)CO)C(O)C(OC3O)CO)C
InChi:InChI=1S/C20H35NO15/c1-5-10(25)13(28)15(30)19(32-5)36-17-14(29)11(26)7(3-22)34-20(17)35-16-9(21-6(2)24)18(31)33-8(4-23)12(16)27/h5,7-20,22-23,25-31H,3-4H2,1-2H3,(H,21,24)/t5-,7+,8+,9+,10+,11-,12+,13+,14-,15-,16+,17+,18+,19-,20-/m0/s1
Synonyms:H TYPE I TRISACCHARIDE
Definition date:2005-05-11
Last modified:2020-07-17
Identifier:6-deoxy-alpha-L-galactopyranosyl-(1->2)-beta-D-galactopyranosyl-(1->3)-2-(acetylamino)-2-deoxy-beta-D-glucopyranose
DR5
DR5
Name:METHYL 4-O-L-GLUCOPYRANOSYL-ALPHA-L-RIBO-HEXOPYRANOSIDE
Formula:C13 H24 O11
SMILES:OC2C(O)C(OC1OC(CO)C(O)C(O)C1O)C(OC2OC)CO
InChi:InChI=1S/C13H24O11/c1-21-12-10(20)8(18)11(5(3-15)23-12)24-13-9(19)7(17)6(16)4(2-14)22-13/h4-20H,2-3H2,1H3/t4-,5-,6+,7+,8-,9-,10-,11-,12-,13+/m1/s1
Synonyms:BETA-METHYLLACTOSIDE
Definition date:2005-07-18
Last modified:2020-07-17
Identifier:methyl 4-O-beta-D-galactopyranosyl-beta-D-glucopyranoside
T6D
T6D
Name:alpha-D-glucopyranosyl 6-O-decanoyl-alpha-D-glucopyranoside
Formula:C22 H40 O12
SMILES:C1(C(C(O)C(C(O1)COC(CCCCCCCCC)=O)O)O)OC2C(C(C(C(CO)O2)O)O)O
InChi:InChI=1S/C22H40O12/c1-2-3-4-5-6-7-8-9-14(24)31-11-13-16(26)18(28)20(30)22(33-13)34-21-19(29)17(27)15(25)12(10-23)32-21/h12-13,15-23,25-30H,2-11H2,1H3/t12-,13-,15-,16-,17+,18+,19-,20-,21-,22-/m1/s1
Synonyms:trehalose 6-decanoate
Definition date:2018-10-02
Last modified:2020-07-17
Release date:2019-09-18
Identifier:alpha-D-glucopyranosyl 6-O-decanoyl-alpha-D-glucopyranoside
SSG
SSG
Name:1,4-dithio-beta-D-glucopyranose
Formula:C6 H12 O4 S2
SMILES:OC1C(S)C(OC(S)C1O)CO
InChi:InChI=1S/C6H12O4S2/c7-1-2-5(11)3(8)4(9)6(12)10-2/h2-9,11-12H,1H2/t2-,3-,4-,5-,6+/m1/s1
Synonyms:1,4-DEOXY-1,4-DITHIO-BETA-D-GLUCOPYRANOSE
Definition date:2000-07-13
Last modified:2020-07-17
Identifier:1,4-dithio-beta-D-glucopyranose
DRI
DRI
Name:2,6-dideoxy-4-O-methyl-beta-D-glucopyranose
Formula:C7 H14 O4
SMILES:O(C1C(OC(O)CC1O)C)C
InChi:InChI=1S/C7H14O4/c1-4-7(10-2)5(8)3-6(9)11-4/h4-9H,3H2,1-2H3/t4-,5-,6-,7-/m1/s1
Synonyms:4-O-METHYL-2,6-DIDEOXY-BETA-D-GLUCOSE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:2,6-dideoxy-4-O-methyl-beta-D-arabino-hexopyranose
T6P
T6P
Name:Trehalose-6-phosphate
Formula:C12 H23 O14 P
SMILES:O=P(O)(O)OCC2OC(OC1OC(CO)C(O)C(O)C1O)C(O)C(O)C2O
InChi:InChI=1S/C12H23O14P/c13-1-3-5(14)7(16)9(18)11(24-3)26-12-10(19)8(17)6(15)4(25-12)2-23-27(20,21)22/h3-19H,1-2H2,(H2,20,21,22)/t3-,4-,5-,6-,7+,8+,9-,10-,11-,12-/m1/s1
Synonyms:6-O-phosphono-alpha-D-glucopyranosyl alpha-D-glucopyranoside
Definition date:1999-08-20
Last modified:2020-07-17
Identifier:6-O-phosphono-alpha-D-glucopyranosyl alpha-D-glucopyranoside
T6T
T6T
Name:alpha-D-tagatopyranose
Formula:C6 H12 O6
SMILES:OC1C(OCC(C1O)O)(CO)O
InChi:InChI=1S/C6H12O6/c7-2-6(11)5(10)4(9)3(8)1-12-6/h3-5,7-11H,1-2H2/t3-,4+,5+,6+/m1/s1
Synonyms:alpha-D-tagatose
Definition date:2015-07-13
Last modified:2020-07-17
Release date:2015-07-22
Identifier:alpha-D-tagatopyranose

246031

PDB entries from 2025-12-10

PDB statisticsPDBj update infoContact PDBjnumon