A1BMF

(2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol

Created:	2024-12-20
Last modified:	2025-07-16

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1 entries where A1BMF is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	42
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	0

2D diagram of A1BMF

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Chemical Component Summary
Name	(2E,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol
Systematic Name (OpenEye OEToolkits)	(2~{E},6~{E})-3,7,11-trimethyldodeca-2,6,10-triene-1-thiol
Formula	C₁₅ H₂₆ S
Molecular Weight	238.432
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	C/C(C)=C\CCC(\C)=C\CCC(\C)=C\CS
SMILES	CACTVS	3.385	CC(C)=CCCC(C)=CCCC(C)=CCS
SMILES	OpenEye OEToolkits	3.1.0.0	CC(=CCCC(=CCCC(=CCS)C)C)C
Canonical SMILES	CACTVS	3.385	CC(C)=CCC\C(C)=C\CC\C(C)=C\CS
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	CC(=CCC/C(=C/CC/C(=C/CS)/C)/C)C
InChI	InChI	1.06	InChI=1S/C15H26S/c1-13(2)7-5-8-14(3)9-6-10-15(4)11-12-16/h7,9,11,16H,5-6,8,10,12H2,1-4H3/b14-9+,15-11+
InChIKey	InChI	1.06	CJWPDADGDASKGI-YFVJMOTDSA-N

Related Resource References

Resource Name	Reference
PubChem	446838

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.