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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1232958
CHEMBL1232958
Compound Name MUCIC ACID
ChEMBL Synonyms
Max Phase 0
Trade Names
Molecular Formula C6H10O8

Additional synonyms for CHEMBL1232958 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES O[C@@H]([C@@H](O)[C@H](O)C(=O)O)[C@@H](O)C(=O)O
Standard InChI InChI=1S/C6H10O8/c7-1(3(9)5(11)12)2(8)4(10)6(13)14/h1-4,7-10 ...
Download InChI
Standard InChI Key DSLZVSRJTYRBFB-DUHBMQHGSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1232958

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
210.1 210.0376 -2.69 5 155.51 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 6 1 8 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.99 - -.88 -5.63 0 14 0.29

Structural Alerts

There are 2 structural alerts for CHEMBL1232958. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DSLZVSRJTYRBFB-DUHBMQHGSA-N
PubChem SID: 170464883

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1232958



BindingDB 50346168
Brenda 30007 197756 9137 3374
ChEBI 30852
eMolecules 531424
EPA CompTox Dashboard DTXSID7048740
FDA SRS E149J5OTIF
Human Metabolome Database HMDB0000639
IBM Patent System D6E2C797C16BF20FD6D6EBE987DB3AC8
LipidMaps LMFA01170107
Metabolights MTBLC30852
MolPort MolPort-003-939-262
Nikkaji J6.665F
PDBe GAE
PubChem 3037582
PubChem: Thomson Pharma 15488226 49702453
SureChEMBL SCHEMBL5901
ZINC ZINC000012359024

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/DSLZVSRJTYRBFB-DUHBMQHGSA-N spacer
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