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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL432995
CHEMBL432995
Compound Name ENTEROBACTIN
ChEMBL Synonyms Enterobactin
Max Phase 0
Trade Names
Molecular Formula C30H27N3O15

Additional synonyms for CHEMBL432995 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Oc1cccc(C(=O)N[C@H]2COC(=O)[C@H](COC(=O)[C@H](COC2=O)NC(=O)c ...
Download SMILES
Standard InChI InChI=1S/C30H27N3O15/c34-19-7-1-4-13(22(19)37)25(40)31-16-10 ...
Download InChI
Standard InChI Key SERBHKJMVBATSJ-BZSNNMDCSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL432995

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
669.6 669.1442 0.65 6 287.58 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
15 9 3 18 9 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
7.46 - -1.23 -1.37 3 48 0.13

Structural Alerts

There are 6 structural alerts for CHEMBL432995. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:SERBHKJMVBATSJ-BZSNNMDCSA-N
Wikipedia Enterobactin

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL432995



ACToR 28384-96-5
ChEBI 28855
EPA CompTox Dashboard DTXSID40182617
FDA SRS 35C9R2N24F
Human Metabolome Database HMDB32199
IBM Patent System CAA075FB05AC272DEF785ABD6088B6DC
KEGG Ligand C05821
Nikkaji J17.543I
PDBe EB4
PubChem 34231
PubChem: Thomson Pharma 15434694
SureChEMBL SCHEMBL263621

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