6-Hydroxycaproic acid
1203
Reference
6-Hydroxycaproic acid Structure
Systematic / IUPAC Name: 6-Hydroxyhexanoic acid
ID: Reference1203
Other Names:
6-Hydroxycaproic acid;
Hexanoic acid, 6-hydroxy-;
ε-Hydroxycaproic acid;
ε-Hydroxyhexanoic acid;
5-Carboxypentanol
Formula: C6H12O3
Class: Endogenous Metabolites
Spectral Data
6-Hydroxycaproic acid mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 150 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI; APCI |
| Analyzers | FT |
| Last Modification | 12/4/2014 3:34:21 PM |
Identificators
| InChI | InChI=1S/C6H12O3/c7-5-3-1-2-4-6(8)9/h7H,1-5H2,(H,8,9) |
| InChI Key | IWHLYPDWHHPVAA-UHFFFAOYSA-N |
| Canonical SMILES | C(CCC(=O)O)CCO |
| CAS | 1191259 |
| Splash | |
| Other Names |
6-Hydroxycaproic acid; Hexanoic acid, 6-hydroxy-; ε-Hydroxycaproic acid; ε-Hydroxyhexanoic acid; 5-Carboxypentanol |
In Other Databases
| PubChem | 14490 |
| LipidsMAPs | LMFA01050015 |
| ChemIDPlus | 001191259 |
| KEGG | C06103 |
| ChEBI | CHEBI:17869 |
| HMDb | HMDB12843 |
| ChemSpider | 13835 |
| ChEMBL | CHEMBL2006530 |