OD0

(1~{S},2~{R},3~{S},6~{S})-6-fluoranylcyclohex-4-ene-1,2,3-triol

Created:	2022-09-05
Last modified:	2024-03-13

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1 entries where OD0 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	4
Bond Count	19
Aromatic Bond Count	0

2D diagram of OD0

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Chemical Component Summary
Name	(1~{S},2~{R},3~{S},6~{S})-6-fluoranylcyclohex-4-ene-1,2,3-triol
Systematic Name (OpenEye OEToolkits)	(1~{S},2~{R},3~{S},6~{S})-6-fluoranylcyclohex-4-ene-1,2,3-triol
Formula	C₆ H₉ F O₃
Molecular Weight	148.132
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[CH]1C=C[CH](F)[CH](O)[CH]1O
SMILES	OpenEye OEToolkits	3.1.0.0	C1=CC(C(C(C1O)O)O)F
Canonical SMILES	CACTVS	3.385	O[C@H]1C=C[C@H](F)[C@@H](O)[C@@H]1O
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	C1=C[C@@H]([C@H]([C@@H]([C@H]1O)O)O)F
InChI	InChI	1.06	InChI=1S/C6H9FO3/c7-3-1-2-4(8)6(10)5(3)9/h1-6,8-10H/t3-,4-,5+,6+/m0/s1
InChIKey	InChI	1.06	DGGHLTXNAWHUTK-UNTFVMJOSA-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.