Showing entry for Retinal
Identification
- PhytoHub ID
- PHUB001886
- Name
- Retinal
- Synonyms
- all-trans-Retinal
- all-trans-retinaldehyde
- all-trans-Retinene
- Vitamin A aldehyde
- CAS Number
- 116-31-4
- Average Mass
- 284.4357
- Monoisotopic Mass
- 284.214015518
- Chemical Formula
- C20H28O
- IUPAC Name
- Not Available
- InChI Key
- NCYCYZXNIZJOKI-OVSJKPMPSA-N
- InChI Identifier
InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+
- SMILES
[H]C(=O)\C=C(/C)\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C
- Structure
Calculated Properties
- Solubility (ALOGPS)
- Not Available
- LogS (ALOGPS)
- Not Available
- LogP (ALOGPS)
- Not Available
- Hydrogen Acceptors
- 1
- Hydrogen Donors
- 0
- Rotatable Bond Count
- 5
- Polar Surface Area
- 17.07
- Refractivity
- 96.8654
- Polarizability
- 35.69258909408052
- Formal Charge
- 0
- Physiological Charge
- 0
- pKa (strongest basic)
- -4.061304726121949
- pKa (strongest acidic)
- Not Available
External Links
- ChEBI
- 17898
- HMDB
- HMDB0001358
Precursor Taxonomy
Precursor | Family | Class | Sub-class | |
---|---|---|---|---|
Carotene-beta | Terpenoids | Carotenoids | Not Available | Show Precursor |
Spectra
No spectra information available
Food Sources
Metabolism
Precursor | Metabolite | Species | Biofluids | Formula | Monoisotopic mass | |||
---|---|---|---|---|---|---|---|---|
Carotene-beta | Retinal | human | serum | C20H28O | 284.214015518 |