YLL

(1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL

Created:	2006-11-29
Last modified:	2024-09-27

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5 entries where YLL is covalently linked to polymer or other heterogen groups

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Chemical Details
Formal Charge	0
Atom Count	27
Chiral Atom Count	4
Bond Count	27
Aromatic Bond Count	0

2D diagram of YLL

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Chemical Component Summary
Name	(1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL
Systematic Name (OpenEye OEToolkits)	(1R,2S,4S,5R)-6-(hydroxymethyl)cyclohexane-1,2,3,4,5-pentol
Formula	C₇ H₁₄ O₆
Molecular Weight	194.182
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	10.04	OC1C(C(O)C(O)C(O)C1O)CO
SMILES	CACTVS	3.341	OC[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	1.5.0	C(C1C(C(C(C(C1O)O)O)O)O)O
Canonical SMILES	CACTVS	3.341	OC[C@@H]1[C@@H](O)[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	1.5.0	C(C1[C@H]([C@@H](C([C@H]([C@@H]1O)O)O)O)O)O
InChI	InChI	1.03	InChI=1S/C7H14O6/c8-1-2-3(9)5(11)7(13)6(12)4(2)10/h2-13H,1H2/t2-,3-,4-,5+,6+,7-/m1/s1
InChIKey	InChI	1.03	QFYQIWDMMSKNFF-NYLBLOMBSA-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.