RDI

RADICICOL

Created:	2003-09-10
Last modified:	2011-06-04

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1 entries where RDI is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	6
Bond Count	50
Aromatic Bond Count	0

2D diagram of RDI

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Chemical Component Summary
Name	RADICICOL
Systematic Name (OpenEye OEToolkits)	n/a
Formula	C₁₈ H₂₃ Cl O₆
Molecular Weight	370.825
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	O=C2CC(=O)C(Cl)C3CC(=O)CCCCC1OC1CC(OC(=O)C23)C
SMILES	CACTVS	3.341	C[CH]1C[CH]2O[CH]2CCCCC(=O)C[CH]3[CH](Cl)C(=O)CC(=O)[CH]3C(=O)O1
SMILES	OpenEye OEToolkits	1.5.0	CC1CC2C(O2)CCCCC(=O)CC3C(C(=O)CC(=O)C3Cl)C(=O)O1
Canonical SMILES	CACTVS	3.341	C[C@@H]1C[C@H]2O[C@@H]2CCCCC(=O)C[C@H]3[C@H](Cl)C(=O)CC(=O)[C@H]3C(=O)O1
Canonical SMILES	OpenEye OEToolkits	1.5.0	C[C@@H]1C[C@@H]2[C@H](O2)CCCCC(=O)CC3C(C(=O)CC(=O)C3Cl)C(=O)O1
InChI	InChI	1.03	InChI=1S/C18H23ClO6/c1-9-6-15-14(25-15)5-3-2-4-10(20)7-11-16(18(23)24-9)12(21)8-13(22)17(11)19/h9,11,14-17H,2-8H2,1H3/t9-,11-,14-,15-,16?,17+/m1/s1
InChIKey	InChI	1.03	AECPBJMOGBFQDN-NIODCRKGSA-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.