11A

UNDECANOIC ACID

Created:	2004-12-17
Last modified:	2011-06-04

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6 entries where 11A is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	34
Aromatic Bond Count	0

2D diagram of 11A

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Chemical Component Summary
Name	UNDECANOIC ACID
Systematic Name (OpenEye OEToolkits)	undecanoic acid
Formula	C₁₁ H₂₂ O₂
Molecular Weight	186.291
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C(O)CCCCCCCCCC
SMILES	CACTVS	3.341	CCCCCCCCCCC(O)=O
SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCC(=O)O
Canonical SMILES	CACTVS	3.341	CCCCCCCCCCC(O)=O
Canonical SMILES	OpenEye OEToolkits	1.5.0	CCCCCCCCCCC(=O)O
InChI	InChI	1.03	InChI=1S/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKey	InChI	1.03	ZDPHROOEEOARMN-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB16857
Name	Undecanoic acid
Groups	investigational
Synonyms	Undecoic acid Undecanoate Undecylic acid Undecanoic acid Hendecanoic acid
Categories	Lipids
CAS number	112-37-8

Related Resource References

Resource Name	Reference
PubChem	8180
ChEMBL	CHEMBL108030
ChEBI	CHEBI:32368
CCDC/CSD	IDAPUZ, ZZZNYY01
COD	7203241, 7050151

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