Loading
PDBj
MenuPDBj@FacebookPDBj@X(formerly Twitter)PDBj@BlueSkyPDBj@YouTubewwPDB FoundationwwPDBDonate
RCSB PDBPDBeBMRBAdv. SearchSearch help
AGL
AGL
Name:4-amino-4,6-dideoxy-alpha-D-glucopyranose
Formula:C6 H13 N O4
SMILES:OC1C(N)C(OC(O)C1O)C
InChi:InChI=1S/C6H13NO4/c1-2-3(7)4(8)5(9)6(10)11-2/h2-6,8-10H,7H2,1H3/t2-,3-,4+,5-,6+/m1/s1
Synonyms:4,6-DIDEOXY-4-AMINO-ALPHA-D-GLUCOSE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:4-amino-4,6-dideoxy-alpha-D-glucopyranose
AH2
AH2
Name:1-deoxy-alpha-D-mannopyranose
Formula:C6 H12 O5
SMILES:OC[CH]1OC[CH](O)[CH](O)[CH]1O
InChi:InChI=1S/C6H12O5/c7-1-4-6(10)5(9)3(8)2-11-4/h3-10H,1-2H2/t3-,4-,5-,6-/m1/s1
Synonyms:1,5-Anhydromannitol
Definition date:2017-01-13
Last modified:2020-07-17
Release date:2018-02-14
Identifier:(2~{R},3~{S},4~{R},5~{R})-2-(hydroxymethyl)oxane-3,4,5-triol
AH8
AH8
Name:(2R,3R,4R,5S)-2-azido-5-(hydroxymethyl)oxolane-3,4-diol
Formula:C5 H9 N3 O4
SMILES:[N-]=[N+]=N/C1OC(C(O)C1O)CO
InChi:InChI=1S/C5H9N3O4/c6-8-7-5-4(11)3(10)2(1-9)12-5/h2-5,9-11H,1H2/t2-,3-,4+,5+/m0/s1
Synonyms:(2R,3R,4R,5S)-2-azido-5-(hydroxymethyl)tetrahydrofuran-3,4-diol
Definition date:2010-08-03
Last modified:2020-07-17
Identifier:(2R,3R,4R,5S)-2-azido-5-(hydroxymethyl)tetrahydrofuran-3,4-diol (non-preferred name)
AHG
AHG
Name:2,5-anhydro-1,6-di-O-phosphono-D-glucitol
Formula:C6 H14 O11 P2
SMILES:O=P(OCC1OC(C(O)C1O)COP(=O)(O)O)(O)O
InChi:InChI=1S/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4+,5-,6-/m1/s1
Synonyms:2,5-ANHYDROGLUCITOL-1,6-BIPHOSPHATE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:2,5-anhydro-1,6-di-O-phosphono-D-glucitol
AHM
AHM
Name:2,5-anhydro-1,6-di-O-phosphono-D-mannitol
Formula:C6 H14 O11 P2
SMILES:O=P(OCC1OC(C(O)C1O)COP(=O)(O)O)(O)O
InChi:InChI=1S/C6H14O11P2/c7-5-3(1-15-18(9,10)11)17-4(6(5)8)2-16-19(12,13)14/h3-8H,1-2H2,(H2,9,10,11)(H2,12,13,14)/t3-,4-,5-,6-/m1/s1
Synonyms:2,5-ANHYDROMANNITOL-1,6-DIPHOSPHATE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:2,5-anhydro-1,6-di-O-phosphono-D-mannitol
AIG
AIG
Name:hexyl 3-amino-3-deoxy-beta-D-galactopyranoside
Formula:C12 H25 N O5
SMILES:O(CCCCCC)C1OC(C(O)C(N)C1O)CO
InChi:InChI=1S/C12H25NO5/c1-2-3-4-5-6-17-12-11(16)9(13)10(15)8(7-14)18-12/h8-12,14-16H,2-7,13H2,1H3/t8-,9+,10+,11-,12-/m1/s1
Synonyms:4-AMINO-2-HEXYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL
Definition date:2003-10-27
Last modified:2020-07-17
Identifier:hexyl 3-amino-3-deoxy-beta-D-galactopyranoside
ALL
ALL
Name:beta-D-allopyranose
Formula:C6 H12 O6
SMILES:C1(C(C(C(C(CO)O1)O)O)O)O
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-/m1/s1
Synonyms:beta-D-allose
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:beta-D-allopyranose
ALX
ALX
Name:2-O-phosphono-alpha-D-glucopyranose
Formula:C6 H13 O9 P
SMILES:O=P(OC1C(O)C(O)C(OC1O)CO)(O)O
InChi:InChI=1S/C6H13O9P/c7-1-2-3(8)4(9)5(6(10)14-2)15-16(11,12)13/h2-10H,1H2,(H2,11,12,13)/t2-,3-,4+,5-,6+/m1/s1
Synonyms:2-O-phosphono-alpha-D-glucose
Definition date:2014-09-11
Last modified:2020-07-17
Release date:2015-08-19
Identifier:2-O-phosphono-alpha-D-glucopyranose
AMG
AMG
Name:methyl alpha-D-galactopyranoside
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:ALPHA-METHYL-D-GALACTOSIDE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:methyl alpha-D-galactopyranoside
AMN
AMN
Name:methyl 5-acetamido-9-amino-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
Formula:C12 H22 N2 O8
SMILES:O=C(O)C1(OC)OC(C(O)C(O)CN)C(NC(=O)C)C(O)C1
InChi:InChI=1S/C12H22N2O8/c1-5(15)14-8-6(16)3-12(21-2,11(19)20)22-10(8)9(18)7(17)4-13/h6-10,16-18H,3-4,13H2,1-2H3,(H,14,15)(H,19,20)/t6-,7+,8+,9+,10+,12+/m0/s1
Synonyms:9-DEOXY-9-AMINO-2-O-METHYL-5-N-ACETYL-ALPHA-D-NEURAMINIC ACID
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:methyl 5-(acetylamino)-9-amino-3,5,9-trideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
ANA
ANA
Name:methyl 4-O-acetyl-5-acetamido-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
Formula:C14 H23 N O10
SMILES:O=C(O)C1(OC)OC(C(O)C(O)CO)C(NC(=O)C)C(OC(=O)C)C1
InChi:InChI=1S/C14H23NO10/c1-6(17)15-10-9(24-7(2)18)4-14(23-3,13(21)22)25-12(10)11(20)8(19)5-16/h8-12,16,19-20H,4-5H2,1-3H3,(H,15,17)(H,21,22)/t8-,9+,10-,11-,12-,14-/m1/s1
Synonyms:4-O-ACETYL-ALPHA-2-OMETHYL-5-N-ACETYL-ALPHA-D-NEURAMINIC ACID
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:methyl 4-O-acetyl-5-(acetylamino)-3,5-dideoxy-D-glycero-alpha-D-galacto-non-2-ulopyranosidonic acid
AOG
AOG
Name:octyl 3-amino-3-deoxy-beta-D-galactopyranoside
Formula:C14 H29 N O5
SMILES:O(CCCCCCCC)C1OC(C(O)C(N)C1O)CO
InChi:InChI=1S/C14H29NO5/c1-2-3-4-5-6-7-8-19-14-13(18)11(15)12(17)10(9-16)20-14/h10-14,16-18H,2-9,15H2,1H3/t10-,11+,12+,13-,14-/m1/s1
Synonyms:4-AMINO-2-OCTYLOXY-6-HYDROXYMETHYL-TETRAHYDRO-PYRAN-3,5-DIOL
Definition date:2003-10-28
Last modified:2020-07-17
Identifier:octyl 3-amino-3-deoxy-beta-D-galactopyranoside
I57
I57
Name:2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-en onic acid
Formula:C21 H26 N4 O7
SMILES:CC(C)C(=O)N[CH]1[CH](OC(=C[CH]1n2cc(nn2)c3ccccc3)C(O)=O)[CH](O)[CH](O)CO
InChi:InChI=1S/C21H26N4O7/c1-11(2)20(29)22-17-14(25-9-13(23-24-25)12-6-4-3-5-7-12)8-16(21(30)31)32-19(17)18(28)15(27)10-26/h3-9,11,14-15,17-19,26-28H,10H2,1-2H3,(H,22,29)(H,30,31)/t14-,15+,17+,18+,19+/m0/s1
Synonyms:(2~{R},3~{R},4~{S})-3-(2-methylpropanoylamino)-4-(4-phenyl-1,2,3-triazol-1-yl)-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)pro pyl]-3,4-dihydro-2~{H}-pyran-6-carboxylic acid
Definition date:2016-07-21
Last modified:2020-07-17
Release date:2017-07-12
Identifier:(2~{R},3~{R},4~{S})-3-(2-methylpropanoylamino)-4-(4-phenyl-1,2,3-triazol-1-yl)-2-[(1~{R},2~{R})-1,2,3-tris(oxidanyl)pro pyl]-3,4-dihydro-2~{H}-pyran-6-carboxylic acid
6PY
6PY
Name:5-acetamido-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-[(2-methoxyethyl)carbamoyl]-D-glycero-D-galacto-non-2-enon ic acid
Formula:C16 H27 N5 O9
SMILES:N(C1C(C(C(OC(NCCOC)=O)C(CO)O)OC(=C1)C(=O)O)NC(C)=O)/C(N)=N
InChi:InChI=1S/C16H27N5O9/c1-7(23)20-11-8(21-15(17)18)5-10(14(25)26)29-13(11)12(9(24)6-22)30-16(27)19-3-4-28-2/h5,8-9,11-13,22,24H,3-4,6H2,1-2H3,(H,19,27)(H,20,23)(H,25,26)(H4,17,18,21)/t8-,9+,11+,12+,13+/m0/s1
Synonyms:5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-[(2-methoxyethyl)carbamoyl]-D-glycero-D-galacto-non-2- enonic acid
Definition date:2016-05-19
Last modified:2020-07-17
Release date:2016-06-29
Identifier:5-(acetylamino)-2,6-anhydro-4-carbamimidamido-3,4,5-trideoxy-7-O-[(2-methoxyethyl)carbamoyl]-D-glycero-D-galacto-non-2- enonic acid
6PZ
6PZ
Name:5,7-bisacetamido-3,5,7,9-tetradeoxy-L-glycero-alpha-L-manno-non-2-ulopyranosonic acid
Formula:C13 H22 N2 O8
SMILES:C[CH](O)[CH](NC(C)=O)[CH]1O[C](O)(C[CH](O)[CH]1NC(C)=O)C(O)=O
InChi:InChI=1S/C13H22N2O8/c1-5(16)9(14-6(2)17)11-10(15-7(3)18)8(19)4-13(22,23-11)12(20)21/h5,8-11,16,19,22H,4H2,1-3H3,(H,14,17)(H,15,18)(H,20,21)/t5-,8-,9-,10-,11-,13-/m0/s1
Synonyms:(2~{S},4~{S},5~{S},6~{S})-5-acetamido-6-[(1~{S},2~{S})-1-acetamido-2-oxidanyl-propyl]-2,4-bis(oxidanyl)oxane-2-carboxyl ic acid
Definition date:2016-05-19
Last modified:2020-07-17
Release date:2017-03-08
Identifier:(2~{S},4~{S},5~{S},6~{S})-5-acetamido-6-[(1~{S},2~{S})-1-acetamido-2-oxidanyl-propyl]-2,4-bis(oxidanyl)oxane-2-carboxyl ic acid
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
6UD
6UD
Name:5-acetamido-2,6-anhydro-3,5,9-trideoxy-9-triazan-1-yl-D-glycero-D-galacto-non-2-enonic acid
Formula:C11 H20 N4 O7
SMILES:C(C=1OC(C(C(C=1)O)NC(=O)C)C(C(O)CNNN)O)(=O)O
InChi:InChI=1S/C11H20N4O7/c1-4(16)14-8-5(17)2-7(11(20)21)22-10(8)9(19)6(18)3-13-15-12/h2,5-6,8-10,13,15,17-19H,3,12H2,1H3,(H,14,16)(H,20,21)/t5-,6+,8+,9+,10+/m0/s1
Synonyms:(2~{R},3~{R},4~{S})-3-acetamido-2-[(1~{R},2~{R})-3-(2-azanylhydrazinyl)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-3,4-dihydro -2~{H}-pyran-6-carboxylic acid
Definition date:2016-06-27
Last modified:2020-07-17
Release date:2017-06-28
Identifier:5-(acetylamino)-2,6-anhydro-3,5,9-trideoxy-9-triazan-1-yl-D-glycero-D-galacto-non-2-enonic acid
6Y6
6Y6
Name:2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-D-glycero-D-galacto -non-2-enonic acid
Formula:C17 H26 N4 O8
SMILES:OC(=O)C2=CC(n1cc(nn1)COC)C(NC(=O)C(C)C)C(O2)C(O)C(O)CO
InChi:InChI=1S/C17H26N4O8/c1-8(2)16(25)18-13-10(21-5-9(7-28-3)19-20-21)4-12(17(26)27)29-15(13)14(24)11(23)6-22/h4-5,8,10-11,13-15,22-24H,6-7H2,1-3H3,(H,18,25)(H,26,27)/t10-,11+,13+,14+,15+/m0/s1
Synonyms:(2~{R},3~{R},4~{S})-4-[4-(methoxymethyl)-1,2,3-triazol-1-yl]-3-(2-methylpropanoylamino)-2-[(1~{R},2~{R})-1,2,3-tris(oxi danyl)propyl]-3,4-dihydro-2~{H}-pyran-6-carboxylic acid
Definition date:2016-07-21
Last modified:2020-07-17
Release date:2017-07-12
Identifier:2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-D-glycero-D-galacto -non-2-enonic acid
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
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
IDC
IDC
Name:(5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside
Formula:C14 H22 N2 O9
SMILES:O(C2C(O)C(O)c1nccn1C2CO)C3OC(C(O)C(O)C3O)CO
InChi:InChI=1S/C14H22N2O9/c17-3-5-12(9(21)10(22)13-15-1-2-16(5)13)25-14-11(23)8(20)7(19)6(4-18)24-14/h1-2,5-12,14,17-23H,3-4H2/t5-,6-,7-,8+,9-,10-,11-,12-,14+/m1/s1
Synonyms:5-HYDROXYMETHYL-5,6,7,8-TETRAHYDRO-IMIDAZO[1,2-A]PYRIDIN-6YL-7,8-DIOL-GLUCOPYRANOSIDE
Definition date:1999-08-03
Last modified:2020-07-17
Identifier:(5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside
IDF
IDF
Name:5-fluoro-alpha-L-idopyranosyluronic acid fluoride
Formula:C6 H8 F2 O6
SMILES:FC1OC(F)(C(=O)O)C(O)C(O)C1O
InChi:InChI=1S/C6H8F2O6/c7-4-2(10)1(9)3(11)6(8,14-4)5(12)13/h1-4,9-11H,(H,12,13)/t1-,2-,3+,4-,6-/m1/s1
Synonyms:5-fluoro-alpha-L-idosyluronic acid fluoride
Definition date:2013-05-07
Last modified:2020-07-17
Release date:2013-09-18
Identifier:(2S,3S,4R,5R,6S)-2,6-difluoro-3,4,5-trihydroxytetrahydro-2H-pyran-2-carboxylic acid (non-preferred name)
IDG
IDG
Name:2,6-diamino-2,6-dideoxy-beta-L-idopyranose
Formula:C6 H14 N2 O4
SMILES:OC1C(O)C(OC(O)C1N)CN
InChi:InChI=1S/C6H14N2O4/c7-1-2-4(9)5(10)3(8)6(11)12-2/h2-6,9-11H,1,7-8H2/t2-,3+,4+,5+,6-/m0/s1
Synonyms:O-2,6-DIAMINO-2,6-DIDEOXY-BETA-L-IDOPYRANOSE
Definition date:1999-07-08
Last modified:2020-07-17
Identifier:2,6-diamino-2,6-dideoxy-beta-L-idopyranose
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

243083

数据于2025-10-15公开中

PDB statisticsPDBj update infoContact PDBjnumon