D-citrulline   Click here for help

GtoPdb Ligand ID: 4683

Compound class: Metabolite
2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 118.44
Molecular weight 175.1
XLogP -3.91
No. Lipinski's rules broken 0

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/)

SMILES / InChI / InChIKey
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Canonical SMILES NC(=O)NCCCC(C(=O)O)N
Isomeric SMILES NC(=O)NCCC[C@H](C(=O)O)N
InChI InChI=1S/C6H13N3O3/c7-4(5(10)11)2-1-3-9-6(8)12/h4H,1-3,7H2,(H,10,11)(H3,8,9,12)/t4-/m1/s1
InChI Key RHGKLRLOHDJJDR-SCSAIBSYSA-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
(2R)-2-amino-5-(carbamoylamino)pentanoic acid
Database Links Click here for help
CAS Registry No. 13594-51-9 (source: Scifinder)
ChEBI CHEBI:49007
GtoPdb PubChem SID 178101397
PubChem CID 637599
Search Google for chemical match using the InChIKey RHGKLRLOHDJJDR-SCSAIBSYSA-N
Search Google for chemicals with the same backbone RHGKLRLOHDJJDR
UniChem Compound Search for chemical match using the InChIKey RHGKLRLOHDJJDR-SCSAIBSYSA-N
UniChem Connectivity Search for chemical match using the InChIKey RHGKLRLOHDJJDR-SCSAIBSYSA-N