0L1

hexanedioic acid

Created:	2012-02-08
Last modified:	2024-09-27

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4 entries where 0L1 is found as a standalone ligand2 entries where 0L1 is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	20
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	0

2D diagram of 0L1

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Chemical Component Summary
Name	hexanedioic acid
Synonyms	Adipic acid
Systematic Name (OpenEye OEToolkits)	hexanedioic acid
Formula	C₆ H₁₀ O₄
Molecular Weight	146.141
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)CCCCC(=O)O
SMILES	CACTVS	3.370	OC(=O)CCCCC(O)=O
SMILES	OpenEye OEToolkits	1.7.6	C(CCC(=O)O)CC(=O)O
Canonical SMILES	CACTVS	3.370	OC(=O)CCCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.7.6	C(CCC(=O)O)CC(=O)O
InChI	InChI	1.03	InChI=1S/C6H10O4/c7-5(8)3-1-2-4-6(9)10/h1-4H2,(H,7,8)(H,9,10)
InChIKey	InChI	1.03	WNLRTRBMVRJNCN-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	22494954, 196
ChEMBL	CHEMBL1157
ChEBI	CHEBI:30832
CCDC/CSD	ADIPAC11, ADIPAC13, FEYQIK, FADGUO, ADIPAC12, CIWFIZ, EFOJAM, CEGGUS, FADGUO02, CIWGAS, FICBIE, ADIPAC24, CESKAN01, CESKAN, FADGUO01, DOSPEI, FAKJOS, ADIPAC25, ADIPAC19, ADIPAC04, ADIPAC09, DOSZES, CUJMOK, AXUSET, CIRXIL, CIWGUM, ERIWUY, ADIPAC20, ADIPAC14, DILVEB, ADIPAC15, BOTTOU01, ADIPAC08, ADIPAC21, ADIPAC22, ADIPAC23, AYIVIP, CEBPIL, COCMOX, DUJXUD, ADIPAC05, ADIPAC16, ADIPAC17, ADIPAC07, ADIPAC18, ADIPAC, ADIPAC06, ABOSIX
COD	2230396, 1520152, 7200291, 7212462, 2221191, 7200953, 7224185, 7214361, 2019658, 7217220, 7217223, 2233304, 4506407, 4506663, 7218806, 4116143, 4508011, 4508010, 4508012, 4508013, 4508014, 7229648, 7229649

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.