5UF
(3~{S})-3-oxidanyldecanoic acid
Created: | 2015-12-02 |
Last modified: | 2020-05-26 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 33 |
Chiral Atom Count | 1 |
Bond Count | 32 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
---|---|
Name | (3~{S})-3-oxidanyldecanoic acid |
Synonyms | Myrmicacin; 3-hydroxydecanoic acid |
Systematic Name (OpenEye OEToolkits) | (3~{S})-3-oxidanyldecanoic acid |
Formula | C10 H20 O3 |
Molecular Weight | 188.264 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | CCCCCCC[CH](O)CC(O)=O |
SMILES | OpenEye OEToolkits | 2.0.4 | CCCCCCCC(CC(=O)O)O |
Canonical SMILES | CACTVS | 3.385 | CCCCCCC[C@H](O)CC(O)=O |
Canonical SMILES | OpenEye OEToolkits | 2.0.4 | CCCCCCC[C@@H](CC(=O)O)O |
InChI | InChI | 1.03 | InChI=1S/C10H20O3/c1-2-3-4-5-6-7-9(11)8-10(12)13/h9,11H,2-8H2,1H3,(H,12,13)/t9-/m0/s1 |
InChIKey | InChI | 1.03 | FYSSBMZUBSBFJL-VIFPVBQESA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 5312799 |
ChEBI | CHEBI:37371 |