ZEU
9-hydroxynonanoic acid
Created: | 2012-12-18 |
Last modified: | 2024-09-27 |
Find Related PDB Entry |
---|
Find related ligands: |
---|
Chemical Details | |
---|---|
Formal Charge | 0 |
Atom Count | 30 |
Chiral Atom Count | 0 |
Bond Count | 29 |
Aromatic Bond Count | 0 |
Chemical Component Summary | |
---|---|
Name | 9-hydroxynonanoic acid |
Systematic Name (OpenEye OEToolkits) | 9-oxidanylnonanoic acid |
Formula | C9 H18 O3 |
Molecular Weight | 174.237 |
Type | NON-POLYMER |
Chemical Descriptors | |||
---|---|---|---|
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)CCCCCCCCO |
SMILES | CACTVS | 3.370 | OCCCCCCCCC(O)=O |
SMILES | OpenEye OEToolkits | 1.7.6 | C(CCCCO)CCCC(=O)O |
Canonical SMILES | CACTVS | 3.370 | OCCCCCCCCC(O)=O |
Canonical SMILES | OpenEye OEToolkits | 1.7.6 | C(CCCCO)CCCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C9H18O3/c10-8-6-4-2-1-3-5-7-9(11)12/h10H,1-8H2,(H,11,12) |
InChIKey | InChI | 1.03 | AFZMICRBFKZNIH-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
---|---|
PubChem | 138052 |
ChEBI | CHEBI:79121 |