Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
SU7
SU7
Name:3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile
Formula:C15 H18 N2 O
SMILES:O=C(CC#N)N1CCC(CC1)Cc2ccccc2
InChi:InChI=1S/C15H18N2O/c16-9-6-15(18)17-10-7-14(8-11-17)12-13-4-2-1-3-5-13/h1-5,14H,6-8,10-12H2
Definition date:2020-03-11
Last modified:2020-07-17
Release date:2020-07-22
Identifier:3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile
U2A
U2A
Name:methyl 2-thio-beta-D-glucopyranoside
Formula:C7 H14 O5 S
SMILES:SC1C(O)C(O)C(OC1OC)CO
InChi:InChI=1S/C7H14O5S/c1-11-7-6(13)5(10)4(9)3(2-8)12-7/h3-10,13H,2H2,1H3/t3-,4-,5+,6-,7-/m1/s1
Definition date:2020-04-08
Last modified:2020-07-17
Release date:2020-07-29
Identifier:methyl 2-thio-beta-D-glucopyranoside
U2D
U2D
Name:6-O-decanoyl-alpha-D-glucopyranose
Formula:C16 H30 O7
SMILES:C1(C(C(O)C(C(O1)COC(CCCCCCCCC)=O)O)O)O
InChi:InChI=1S/C16H30O7/c1-2-3-4-5-6-7-8-9-12(17)22-10-11-13(18)14(19)15(20)16(21)23-11/h11,13-16,18-21H,2-10H2,1H3/t11-,13-,14+,15-,16+/m1/s1
Definition date:2020-04-09
Last modified:2020-07-17
Release date:2020-07-29
Identifier:6-O-decanoyl-alpha-D-glucopyranose
SUC
SUC
Name:SUCROSE
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:1999-07-08
Last modified:2020-07-17
Identifier:beta-D-fructofuranosyl alpha-D-glucopyranoside
TNX
TNX
Name:1,5-anhydro-2-deoxy-2-(ethanethioylamino)-D-arabino-hex-1-enitol
Formula:C8 H13 N O4 S
SMILES:C=1OC(C(C(C=1NC(=S)C)O)O)CO
InChi:InChI=1S/C8H13NO4S/c1-4(14)9-5-3-13-6(2-10)8(12)7(5)11/h3,6-8,10-12H,2H2,1H3,(H,9,14)/t6-,7-,8-/m1/s1
Synonyms:N-[(2R,3S,4R)-2-(hydroxymethyl)-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-5-yl]ethanethioamide
Definition date:2015-12-18
Last modified:2020-07-17
Release date:2016-10-26
Identifier:1,5-anhydro-2-deoxy-2-(ethanethioylamino)-D-arabino-hex-1-enitol
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
SFV
SFV
Name:[[[(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methylphosphonic acid
Formula:C10 H18 N3 O12 P3
SMILES:NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)C[P](O)(O)=O)O2
InChi:InChI=1S/C10H18N3O12P3/c11-8-1-2-13(10(15)12-8)9-3-6(14)7(24-9)4-23-28(21,22)25-27(19,20)5-26(16,17)18/h1-2,6-7,9,14H,3-5H2,(H,19,20)(H,21,22)(H2,11,12,15)(H2,16,17,18)/t6-,7+,9+/m0/s1
Definition date:2020-03-09
Last modified:2020-07-17
Release date:2020-07-22
Identifier:[[[(2~{R},3~{S},5~{R})-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]methylphosphonic acid
B2G
B2G
Name:GALACTOBIOSE
Formula:C12 H22 O11
SMILES:O(C1C(OC(O)C(O)C1O)CO)C2OC(C(O)C(O)C2O)CO
InChi:InChI=1S/C12H22O11/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
Synonyms:BETA-1,4-GALACTOBIOSIDE
Definition date:2003-10-23
Last modified:2020-07-17
Identifier:4-O-beta-D-galactopyranosyl-beta-D-galactopyranose
SG4
SG4
Name:3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-glucopyranose
Formula:C10 H17 N O10 S
SMILES:O=S(=O)(OCC1OC(O)C(O)C(OC(=O)C)C1OC(=O)C)N
InChi:InChI=1S/C10H17NO10S/c1-4(12)19-8-6(3-18-22(11,16)17)21-10(15)7(14)9(8)20-5(2)13/h6-10,14-15H,3H2,1-2H3,(H2,11,16,17)/t6-,7-,8-,9-,10+/m1/s1
Synonyms:3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-glucose
Definition date:2011-08-19
Last modified:2020-07-17
Identifier:3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-glucopyranose
SG5
SG5
Name:2,3,4-tri-O-propanoyl-6-O-sulfamoyl-alpha-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-alpha-D-glucose
Definition date:2011-08-19
Last modified:2020-07-17
Identifier:2,3,4-tri-O-propanoyl-6-O-sulfamoyl-alpha-D-glucopyranose
SUP
SUP
Name:SUCROSE-6-PHOSHPATE
Formula:C12 H23 O14 P
SMILES:O=P(O)(O)OCC2OC(OC1OC(CO)C(O)C(O)C1O)(C(O)C2O)CO
InChi:InChI=1S/C12H23O14P/c13-1-4-6(15)8(17)9(18)11(24-4)26-12(3-14)10(19)7(16)5(25-12)2-23-27(20,21)22/h4-11,13-19H,1-3H2,(H2,20,21,22)/t4-,5-,6-,7-,8+,9-,10+,11-,12+/m1/s1
Definition date:2004-08-12
Last modified:2020-07-17
Identifier:6-O-phosphono-beta-D-fructofuranosyl alpha-D-glucopyranoside
SG6
SG6
Name:4-O-acetyl-6-O-sulfamoyl-alpha-D-galactopyranose
Formula:C8 H15 N O9 S
SMILES:O=S(=O)(OCC1OC(O)C(O)C(O)C1OC(=O)C)N
InChi:InChI=1S/C8H15NO9S/c1-3(10)17-7-4(2-16-19(9,14)15)18-8(13)6(12)5(7)11/h4-8,11-13H,2H2,1H3,(H2,9,14,15)/t4-,5-,6-,7+,8+/m1/s1
Synonyms:4-O-acetyl-6-O-sulfamoyl-alpha-D-galactose
Definition date:2011-08-30
Last modified:2020-07-17
Identifier:4-O-acetyl-6-O-sulfamoyl-alpha-D-galactopyranose
NYT
NYT
Name:beta-D-fructofuranosyl-(2->1)-beta-D-fructofuranosyl-(2->1)-beta-D-fructofuranosyl alpha-D-glucopyranoside
Formula:C24 H42 O21
SMILES:OC[CH]1O[CH](O[C]2(CO[C]3(CO[C]4(CO)O[CH](CO)[CH](O)[CH]4O)O[CH](CO)[CH](O)[CH]3O)O[CH](CO)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C24H42O21/c25-1-8-12(30)16(34)17(35)21(41-8)45-24(20(38)15(33)11(4-28)44-24)7-40-23(19(37)14(32)10(3-27)43-23)6-39-22(5-29)18(36)13(31)9(2-26)42-22/h8-21,25-38H,1-7H2/t8-,9-,10-,11-,12-,13-,14-,15-,16+,17-,18+,19+,20+,21-,22-,23-,24+/m1/s1
Synonyms:Nystose
Definition date:2010-02-15
Last modified:2020-07-17
Identifier:(2R,3R,4S,5S,6R)-2-[(2S,3S,4S,5R)-2-[[(2R,3S,4S,5R)-2-[[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
SG7
SG7
Name:3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-mannopyranose
Formula:C10 H17 N O10 S
SMILES:O=S(=O)(OCC1OC(O)C(O)C(OC(=O)C)C1OC(=O)C)N
InChi:InChI=1S/C10H17NO10S/c1-4(12)19-8-6(3-18-22(11,16)17)21-10(15)7(14)9(8)20-5(2)13/h6-10,14-15H,3H2,1-2H3,(H2,11,16,17)/t6-,7+,8-,9-,10+/m1/s1
Synonyms:3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-mannose
Definition date:2011-08-30
Last modified:2020-07-17
Identifier:3,4-di-O-acetyl-6-O-sulfamoyl-alpha-D-mannopyranose
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
TOA
TOA
Name:3-ammonio-3-deoxy-alpha-D-glucopyranose
Formula:C6 H14 N O5
SMILES:OC1C([NH3+])C(O)C(OC1O)CO
InChi:InChI=1S/C6H13NO5/c7-3-4(9)2(1-8)12-6(11)5(3)10/h2-6,8-11H,1,7H2/p+1/t2-,3+,4-,5-,6+/m1/s1
Synonyms:3-DEOXY-3-AMINO GLUCOSE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:3-ammonio-3-deoxy-alpha-D-glucopyranose
SGA
SGA
Name:3-O-sulfo-beta-D-galactopyranose
Formula:C6 H12 O9 S
SMILES:O=S(=O)(OC1C(O)C(OC(O)C1O)CO)O
InChi:InChI=1S/C6H12O9S/c7-1-2-3(8)5(15-16(11,12)13)4(9)6(10)14-2/h2-10H,1H2,(H,11,12,13)/t2-,3+,4-,5+,6-/m1/s1
Synonyms:O3-SULFONYLGALACTOSE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:3-O-sulfo-beta-D-galactopyranose
TOC
TOC
Name:2,6-diammonio-2,3,6-trideoxy-alpha-D-glucopyranose
Formula:C6 H16 N2 O3
SMILES:OC1C(OC(O)C([NH3+])C1)C[NH3+]
InChi:InChI=1S/C6H14N2O3/c7-2-5-4(9)1-3(8)6(10)11-5/h3-6,9-10H,1-2,7-8H2/p+2/t3-,4+,5-,6+/m1/s1
Synonyms:2,3,6-TRIDEOXY-2,6-DIAMINO GLUCOSE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:2,6-diammonio-2,3,6-trideoxy-alpha-D-ribo-hexopyranose
SGC
SGC
Name:4-thio-beta-D-glucopyranose
Formula:C6 H12 O5 S
SMILES:OC1C(S)C(OC(O)C1O)CO
InChi:InChI=1S/C6H12O5S/c7-1-2-5(12)3(8)4(9)6(10)11-2/h2-10,12H,1H2/t2-,3-,4-,5-,6-/m1/s1
Synonyms:4-DEOXY-4-THIO-BETA-D-GLUCOPYRANOSE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:4-thio-beta-D-glucopyranose
SGD
SGD
Name:6-thio-alpha-D-glucopyranose
Formula:C6 H12 O5 S
SMILES:OC1C(O)C(OC(O)C1O)CS
InChi:InChI=1S/C6H12O5S/c7-3-2(1-12)11-6(10)5(9)4(3)8/h2-10,12H,1H2/t2-,3-,4+,5-,6+/m1/s1
Synonyms:6-thio-alpha-D-glucose
Definition date:2013-02-13
Last modified:2020-07-17
Release date:2014-02-12
Identifier:6-thio-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
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
SGN
SGN
Name:2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose
Formula:C6 H13 N O11 S2
SMILES:O=S(=O)(O)OCC1OC(O)C(NS(=O)(=O)O)C(O)C1O
InChi:InChI=1S/C6H13NO11S2/c8-4-2(1-17-20(14,15)16)18-6(10)3(5(4)9)7-19(11,12)13/h2-10H,1H2,(H,11,12,13)(H,14,15,16)/t2-,3-,4-,5-,6+/m1/s1
Synonyms:N,O6-DISULFO-GLUCOSAMINE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:2-deoxy-6-O-sulfo-2-(sulfoamino)-alpha-D-glucopyranose
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

245011

数据于2025-11-19公开中

PDB statisticsPDBj update infoContact PDBjnumon