CCD

(4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM

Created:	2006-06-15
Last modified:	2024-09-27

Find Related PDB Entry
3 entries where CCD is found as a standalone ligand4 entries where CCD 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	1
Atom Count	30
Chiral Atom Count	1
Bond Count	29
Aromatic Bond Count	0

2D diagram of CCD

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(4R)-4-HYDROXY-N,N,N-TRIMETHYLPENTAN-1-AMINIUM
Systematic Name (OpenEye OEToolkits)	[(4R)-4-hydroxypentyl]-trimethyl-azanium
Formula	C₈ H₂₀ N O
Molecular Weight	146.25
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC(C)CCC[N+](C)(C)C
SMILES	CACTVS	3.341	C[CH](O)CCC[N+](C)(C)C
SMILES	OpenEye OEToolkits	1.5.0	CC(CCC[N+](C)(C)C)O
Canonical SMILES	CACTVS	3.341	C[C@@H](O)CCC[N+](C)(C)C
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@H](CCC[N+](C)(C)C)O
InChI	InChI	1.03	InChI=1S/C8H20NO/c1-8(10)6-5-7-9(2,3)4/h8,10H,5-7H2,1-4H3/q+1/t8-/m1/s1
InChIKey	InChI	1.03	HSBSNRZAOXKTSK-MRVPVSSYSA-N

Related Resource References

Resource Name	Reference
PubChem	24916842

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.