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hyaluronan   Click here for help

GtoPdb Ligand ID: 4954

Synonyms: HA | hyaluronate | hyaluronic acid
Compound class: Metabolite
Comment: A disaccharide polymer. The structure shown here represents one of the subunits
2D Structure
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2D Structure

An image of the ligand's 2D structure. For small molecules with SMILES these are drawn using the NCI/CADD Chemical Identifier Resolver. Click on the image to access the chemical structure search tool with the ligand pre-loaded in the structure editor. For other types of ligands, e.g. longer nucleotides and peptides, a manually drawn representation of the molecule may be provided.

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SMILES / InChI / InChIKey
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SMILES / InChI / InChIKey

SMILES (Simplified Molecular Input Line Entry Specification) A specification for unambiguously describing the structure of chemical molecules using short ASCII strings. Canonical SMILES specify a unique representation of the 2D structure without chiral or isotopic specifications. Isomeric SMILES include chiral specification and isotopes.

Standard InChI (IUPAC International Chemical Identifier) and InChIKey InChI is a non-proprietary, standard, textual identifier for chemical substances designed to facilitate linking of information and database searching. An InChIKey is a simplified version of a full InChI, designed for easier web searching.

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)

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Canonical SMILES OCC1OC(OC2C(OC(C(C2O)O)OC2C(NC(=O)C)C(O)OC(C2O)CO)C(=O)O)C(C(C1O)OC1OC(C(=O)O)C(C(C1O)O)O)NC(=O)C.[Na+]
Isomeric SMILES OC[C@H]1O[C@@H](O[C@@H]2[C@H](O[C@H]([C@@H]([C@H]2O)O)O[C@@H]2[C@@H](NC(=O)C)[C@H](O)O[C@@H]([C@H]2O)CO)C(=O)O)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@H](C(=O)O)[C@H]([C@@H]([C@H]1O)O)O)NC(=O)C.[Na+]
InChI InChI=1S/C28H44N2O23.Na/c1-5(33)29-9-18(11(35)7(3-31)47-25(9)46)49-28-17(41)15(39)20(22(53-28)24(44)45)51-26-10(30-6(2)34)19(12(36)8(4-32)48-26)50-27-16(40)13(37)14(38)21(52-27)23(42)43;/h7-22,25-28,31-32,35-41,46H,3-4H2,1-2H3,(H,29,33)(H,30,34)(H,42,43)(H,44,45);/q;+1/t7-,8-,9-,10-,11-,12-,13+,14+,15-,16-,17-,18-,19-,20+,21+,22+,25-,26+,27-,28-;/m1./s1
InChI Key YWIVKILSMZOHHF-QJZPQSOGSA-N

Generated using the Chemistry Development Kit (CDK) (Willighagen EL et al. Journal of Cheminformatics vol. 9:33. 2017, doi:10.1186/s13321-017-0220-4; https://cdk.github.io/)
Classification Click here for help
Compound class Metabolite
IUPAC Name Click here for help
sodium (2S,3S,4R,5R,6R)-3-{[(2S,3R,4R,5S,6R)-4-{[(2R,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy}-3-acetamido-5-hydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-6-{[(2R,3R,4R,5S,6R)-3-acetamido-2,5-dihydroxy-6-(hydroxymethyl)oxan-4-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid
Synonyms Click here for help
HA | hyaluronate | hyaluronic acid
Database Links Click here for help
CAS Registry No. 9004-61-9
ChEBI CHEBI:16336
GtoPdb PubChem SID 178101652
PubChem CID 3084049
Search Google for chemical match using the InChIKey YWIVKILSMZOHHF-QJZPQSOGSA-N
Search Google for chemicals with the same backbone YWIVKILSMZOHHF
UniChem Compound Search for chemical match using the InChIKey YWIVKILSMZOHHF-QJZPQSOGSA-N
UniChem Connectivity Search for chemical match using the InChIKey YWIVKILSMZOHHF-QJZPQSOGSA-N
Wikipedia Hyaluronan