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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL444814
CHEMBL444814
Compound Name L-CITRULLINE
ChEMBL Synonyms L-Citrulline
Max Phase 0
Trade Names
Molecular Formula C6H13N3O3

Additional synonyms for CHEMBL444814 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H](CCCNC(=O)N)C(=O)O
Standard InChI InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,( ...
Download InChI
Standard InChI Key RHGKLRLOHDJJDR-BYPYZUCNSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL444814

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
175.2 175.0957 -3.89 5 118.43 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 4 0 6 6 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.51 9.88 -1.37 -3.88 0 12 0.32

Structural Alerts

There are 3 structural alerts for CHEMBL444814. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:RHGKLRLOHDJJDR-BYPYZUCNSA-N
Wikipedia Citrulline

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL444814



ACToR 627-77-0 13594-51-9
BindingDB 92903
Brenda 44303 154419 938 145055 24602 153429 145969
ChEBI 16349 57743
DrugBank DB00155
DrugCentral 3103
eMolecules 493823
FDA SRS 29VT07BGDA
Guide to Pharmacology 722
Human Metabolome Database HMDB00904
IBM Patent System 7616C18EA4D0C6765BBEE5119025728D
KEGG Ligand C00327
Metabolights MTBLC16349 MTBLC57743
Nikkaji J5.711H
PDBe CIR
PharmGKB PA164747225
PubChem 9750 6992098
PubChem: Thomson Pharma 15219582 15195082
Recon citr_L
SureChEMBL SCHEMBL20588
ZINC ZINC000001532614

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