A1EBM

(~{Z})-5-methyl-2-propan-2-yl-hex-2-enal

Created:	2024-09-06
Last modified:	2025-03-26

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1 entries where A1EBM is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	28
Aromatic Bond Count	0

2D diagram of A1EBM

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Chemical Component Summary
Name	(~{Z})-5-methyl-2-propan-2-yl-hex-2-enal
Systematic Name (OpenEye OEToolkits)	(~{Z})-5-methyl-2-propan-2-yl-hex-2-enal
Formula	C₁₀ H₁₈ O
Molecular Weight	154.249
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CC(C)CC=C(C=O)C(C)C
SMILES	OpenEye OEToolkits	2.0.7	CC(C)CC=C(C=O)C(C)C
Canonical SMILES	CACTVS	3.385	CC(C)C\C=C(C=O)\C(C)C
Canonical SMILES	OpenEye OEToolkits	2.0.7	CC(C)C/C=C(\C=O)/C(C)C
InChI	InChI	1.06	InChI=1S/C10H18O/c1-8(2)5-6-10(7-11)9(3)4/h6-9H,5H2,1-4H3/b10-6+
InChIKey	InChI	1.06	IOLQAHFPDADCHJ-UXBLZVDNSA-N

Related Resource References

Resource Name	Reference
PubChem	5892299

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.