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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL508272
CHEMBL508272
Compound Name SURFACTIN
ChEMBL Synonyms Surfactin
Max Phase 0
Trade Names
Molecular Formula C53H93N7O13

Additional synonyms for CHEMBL508272 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)CCCCCCCCC[C@@H]1CC(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CC( ...
Download SMILES
Standard InChI InChI=1S/C53H93N7O13/c1-30(2)20-18-16-14-13-15-17-19-21-36-2 ...
Download InChI
Standard InChI Key NJGWOFRZMQRKHT-WGVNQGGSSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL508272

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
1036.3 1035.6831 - - - -


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
- - - - - -


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - - - - - -0

Structural Alerts

There are no structural alerts for CHEMBL508272

Compound Cross References

ChemSpider ChemSpider:NJGWOFRZMQRKHT-WGVNQGGSSA-N
Wikipedia Surfactin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL508272



ACToR 24730-31-2
BindingDB 50378583
ChEBI 71978
KEGG Ligand C12043
Metabolights MTBLC71978
Nikkaji J3.394.086F
PubChem 443592
SureChEMBL SCHEMBL1434743

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