Hexadecanedioic acid
2712
Reference
Hexadecanedioic acid Structure
Systematic / IUPAC Name: Hexadecanedioic acid
ID: Reference2712
Other Names:
Hexadecandioic acid;
Thapsic acid;
1,14-Tetradecanedicarboxylate;
1,14-Tetradecanedicarboxylic acid;
1,16-Hexadecanedioate
; more
Formula: C16H30O4
Class: Endogenous Metabolites Extractables/Leachables
Spectral Data
Hexadecanedioic 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 | 1 |
| No. of Spectra | 59 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI |
| Analyzers | FT |
| Last Modification | 3/17/2016 8:47:38 AM |
Identificators
| InChI | InChI=1S/C16H30O4/c17-15(18)13-11-9-7-5-3-1-2-4-6-8-10-12-14-16(19)20/h1-14H2,(H,17,18)(H,19,20) |
| InChI Key | QQHJDPROMQRDLA-UHFFFAOYSA-N |
| Canonical SMILES | C(CCCCCCCC(=O)O)CCCCCCC(=O)O |
| CAS | 505544 |
| Splash | |
| Other Names |
Hexadecandioic acid; Thapsic acid; 1,14-Tetradecanedicarboxylate; 1,14-Tetradecanedicarboxylic acid; 1,16-Hexadecanedioate; 1,16-Hexadecanedioic acid; a,w-Tetradecanedicarboxylate; a,w-Tetradecanedicarboxylic acid; Hexadecane-1,16-dioic acid |
In Other Databases
| ChemIDPlus | 000505544 |
| ChEBI | CHEBI:73722 |
| HMDb | HMDB00672 |
| PubChem | 10459 |
| KEGG | C19615 |
| ChemSpider | 10027 |
| LipidsMAPs | LMFA01170022 |