A1H6A

adamantane-1-carboxylic acid

Created:	2024-03-14
Last modified:	2025-03-26

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1 entries where A1H6A is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	29
Chiral Atom Count	0
Bond Count	31
Aromatic Bond Count	0

2D diagram of A1H6A

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Chemical Component Summary
Name	adamantane-1-carboxylic acid
Systematic Name (OpenEye OEToolkits)	adamantane-1-carboxylic acid
Formula	C₁₁ H₁₆ O₂
Molecular Weight	180.244
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	OC(=O)C12CC3CC(CC(C3)C1)C2
SMILES	OpenEye OEToolkits	2.0.7	C1C2CC3CC1CC(C2)(C3)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)C12CC3CC(CC(C3)C1)C2
Canonical SMILES	OpenEye OEToolkits	2.0.7	C1C2CC3CC1CC(C2)(C3)C(=O)O
InChI	InChI	1.06	InChI=1S/C11H16O2/c12-10(13)11-4-7-1-8(5-11)3-9(2-7)6-11/h7-9H,1-6H2,(H,12,13)/t7-,8+,9-,11-
InChIKey	InChI	1.06	JIMXXGFJRDUSRO-KJZNFTALSA-N

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.