CBG

PROPANAL

Created:	1999-07-08
Last modified:	2011-06-04

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1 entries where CBG is found as a standalone ligand3 entries where CBG is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	10
Chiral Atom Count	0
Bond Count	9
Aromatic Bond Count	0

2D diagram of CBG

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Chemical Component Summary
Name	PROPANAL
Systematic Name (OpenEye OEToolkits)	propanal
Formula	C₃ H₆ O
Molecular Weight	58.079
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=CCC
SMILES	CACTVS	3.341	CCC=O
SMILES	OpenEye OEToolkits	1.5.0	CCC=O
Canonical SMILES	CACTVS	3.341	CCC=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCC=O
InChI	InChI	1.03	InChI=1S/C3H6O/c1-2-3-4/h3H,2H2,1H3
InChIKey	InChI	1.03	NBBJYMSMWIIQGU-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	527
ChEMBL	CHEMBL275626
ChEBI	CHEBI:17153
CCDC/CSD	VILBUQ

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.