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- BIRD-PRD_900058: UNSATURATED CHONDROITIN DISACCHARIDE -

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Basic information

EntryDatabase: Biologically Interesting Molecule Reference Dictionary (BIRD) / ID: PRD_900058
StatusStatus: REF ONLY
NameUNSATURATED CHONDROITIN DISACCHARIDE

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BIRD information

TypeOligosaccharide / Substrate analog
Details
  • oligosaccharide with ring modification on monosaccharide components
DownloadsMolecular definition / Chemical definition

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Chemical information

Composition
Formula: C14H21NO11 / Formula weight: 379.317
OthersType: saccharide
History
External linksUniChem / ChemSpider / Wikipedia search / Google search

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Structure visualization

Structure viewerMolecule:
MolmilJmol/JSmol

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Details

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SMILES

ACDLabs 10.04O=C(O)C=2OC(OC1C(O)C(OC(O)C1NC(=O)C)CO)C(O)C(O)C=2
CACTVS 3.341CC(=O)N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O[CH]2OC(=C[CH](O)[CH]2O)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)NC1C(C(C(OC1O)CO)O)OC2C(C(C=C(O2)C(=O)O)O)O

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SMILES CANONICAL

CACTVS 3.341CC(=O)N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O[C@@H]2OC(=C[C@H](O)[C@H]2O)C(O)=O
OpenEye OEToolkits 1.5.0CC(=O)N[C@@H]1[C@H]([C@H]([C@H](O[C@H]1O)CO)O)O[C@H]2[C@@H]([C@H](C=C(O2)C(=O)O)O)O

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InChI

InChI 1.03InChI=1S/C14H21NO11/c1-4(17)15-8-11(10(20)7(3-16)24-13(8)23)26-14-9(19)5(18)2-6(25-14)12(21)22/h2,5,7-11,13-14,16,18-20 ,23H,3H2,1H3,(H,15,17)(H,21,22)/t5-,7+,8+,9+,10-,11+,13+,14-/m0/s1

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InChIKey

InChI 1.03DLGJWSVWTWEWBJ-MUODBDBBSA-N

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SYSTEMATIC NAME

ACDLabs 10.042-(acetylamino)-2-deoxy-3-O-(4-deoxy-alpha-L-threo-hex-4-enopyranuronosyl)-beta-D-galactopyranose
OpenEye OEToolkits 1.5.0(4S,5R,6R)-6-[(2R,3R,4R,5R,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy-4,5-dihydroxy-5,6-dihydro-4H-py ran-2-carboxylic acid

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PDB entries

Showing all 5 items

PDB-1ojm:
SPECIFICITY AND MECHANISM OF STREPTOCOCCUS PNEUMONIAE HYALURONATE LYASE: COMPLEX WITH UNSULPHATED CHONDROITIN DISACCHARIDE

PDB-2ahg:
Unsaturated glucuronyl hydrolase mutant D88N with dGlcA-GalNAc

PDB-2d8l:
Crystal Structure of Unsaturated Rhamnogalacturonyl Hydrolase in complex with dGlcA-GalNAc

PDB-5gub:
Crystal structure of solute-binding protein complexed with sulfate group-free unsaturated chondroitin disaccharide

PDB-7eis:
Crystal structure of chondroitin ABC lyase I in complex with chondroitin disaccharide 0S

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