OVU

(1~{S},2~{R},4~{R},5~{S},6~{S})-2,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid

Created:	2022-09-21
Last modified:	2023-02-15

Find Related PDB Entry
1 entries where OVU 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	23
Chiral Atom Count	5
Bond Count	24
Aromatic Bond Count	0

2D diagram of OVU

Toggle Hydrogen Toggle Labels

Chemical Component Summary
Name	(1~{S},2~{R},4~{R},5~{S},6~{S})-2,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid
Systematic Name (OpenEye OEToolkits)	(1~{S},2~{R},4~{R},5~{S},6~{S})-2,4,5-tris(oxidanyl)-7-oxabicyclo[4.1.0]heptane-2-carboxylic acid
Formula	C₇ H₁₀ O₆
Molecular Weight	190.151
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O[CH]1C[C](O)([CH]2O[CH]2[CH]1O)C(O)=O
SMILES	OpenEye OEToolkits	3.1.0.0	C1C(C(C2C(C1(C(=O)O)O)O2)O)O
Canonical SMILES	CACTVS	3.385	O[C@@H]1C[C@@](O)([C@H]2O[C@H]2[C@H]1O)C(O)=O
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	C1[C@H]([C@@H]([C@H]2[C@@H]([C@]1(C(=O)O)O)O2)O)O
InChI	InChI	1.06	InChI=1S/C7H10O6/c8-2-1-7(12,6(10)11)5-4(13-5)3(2)9/h2-5,8-9,12H,1H2,(H,10,11)/t2-,3+,4+,5+,7-/m1/s1
InChIKey	InChI	1.06	ASWQMJLBZXDZCM-WPCLBDJUSA-N

Related Resource References

Resource Name	Reference
PubChem	166607344

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.