Y39

(1S,2S)-2-nonylcyclopropanecarboxylic acid

Created:	2014-05-02
Last modified:	2014-11-19

Find Related PDB Entry
2 entries where Y39 is found as a standalone ligand

Find related ligands:

Similar Ligands (Stereospecific) Similar Ligands (including Stereoisomers) Similar Ligands (Quick Screen) Similar Ligands (Substructure Stereospecific) Similar Ligands (Substructure including Stereoisomers)

Chemical Details
Formal Charge	0
Atom Count	39
Chiral Atom Count	2
Bond Count	39
Aromatic Bond Count	0

2D diagram of Y39

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(1S,2S)-2-nonylcyclopropanecarboxylic acid
Systematic Name (OpenEye OEToolkits)	(1S,2S)-2-nonylcyclopropane-1-carboxylic acid
Formula	C₁₃ H₂₄ O₂
Molecular Weight	212.328
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)C1CC1CCCCCCCCC
SMILES	CACTVS	3.385	CCCCCCCCC[CH]1C[CH]1C(O)=O
SMILES	OpenEye OEToolkits	1.9.2	CCCCCCCCCC1CC1C(=O)O
Canonical SMILES	CACTVS	3.385	CCCCCCCCC[C@H]1C[C@@H]1C(O)=O
Canonical SMILES	OpenEye OEToolkits	1.9.2	CCCCCCCCC[C@H]1C[C@@H]1C(=O)O
InChI	InChI	1.03	InChI=1S/C13H24O2/c1-2-3-4-5-6-7-8-9-11-10-12(11)13(14)15/h11-12H,2-10H2,1H3,(H,14,15)/t11-,12-/m0/s1
InChIKey	InChI	1.03	GVGYASDUOPEXET-RYUDHWBXSA-N

Related Resource References

Resource Name	Reference
PubChem	86278035

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.