RET

RETINAL

Created:	1999-07-08
Last modified:	2024-09-27

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32 entries where RET is found as a standalone ligand454 entries where RET is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	49
Chiral Atom Count	0
Bond Count	49
Aromatic Bond Count	0

2D diagram of RET

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Chemical Component Summary
Name	RETINAL
Systematic Name (OpenEye OEToolkits)	(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenal
Formula	C₂₀ H₂₈ O
Molecular Weight	284.436
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C\C=C(\C=C\C=C(\C=C\C1=C(C)CCCC1(C)C)C)C
SMILES	CACTVS	3.370	CC(=CC=O)C=CC=C(C)C=CC1=C(C)CCCC1(C)C
SMILES	OpenEye OEToolkits	1.7.0	CC1=C(C(CCC1)(C)C)C=CC(=CC=CC(=CC=O)C)C
Canonical SMILES	CACTVS	3.370	CC(=C\C=O)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
Canonical SMILES	OpenEye OEToolkits	1.7.0	CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C
InChI	InChI	1.03	InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
InChIKey	InChI	1.03	NCYCYZXNIZJOKI-OVSJKPMPSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL81379
PubChem	638015
ChEMBL	CHEMBL81379
ChEBI	CHEBI:17898
CCDC/CSD	TRETAL03

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