GEB

3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal

Created:	2018-09-13
Last modified:	2024-09-27

Find Related PDB Entry
1 entries where GEB is covalently linked to polymer or other heterogen groups

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	32
Chiral Atom Count	0
Bond Count	32
Aromatic Bond Count	0

2D diagram of GEB

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal
Systematic Name (OpenEye OEToolkits)	3-[4-(3-oxidanylidenepropyl)piperazin-1-yl]propanal
Formula	C₁₀ H₁₈ N₂ O₂
Molecular Weight	198.262
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=CCCN1CCN(CCC=O)CC1
SMILES	OpenEye OEToolkits	2.0.6	C1CN(CCN1CCC=O)CCC=O
Canonical SMILES	CACTVS	3.385	O=CCCN1CCN(CCC=O)CC1
Canonical SMILES	OpenEye OEToolkits	2.0.6	C1CN(CCN1CCC=O)CCC=O
InChI	InChI	1.03	InChI=1S/C10H18N2O2/c13-9-1-3-11-5-7-12(8-6-11)4-2-10-14/h9-10H,1-8H2
InChIKey	InChI	1.03	YNICZMOQZCCMFE-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	137349424

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.