(3R)-all-trans-3-hydroxyretinal
PubChem CID: 25229573
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | (3r)-3-hydroxyretinal, APO-15-zeaxanthinal, (3R)-all-trans-3-hydroxyretinal, 3-Hydroxyretinal, (3R)-, 8R3L21VBA6, Retinal, 3-hydroxy-, (3R)-, (-)-(R)-all-trans-3-hydroxyretinal, UNII-8R3L21VBA6, 60046-53-9, 3R-Hydroxy-15-apo-beta-caroten-15-al, (2E,4E,6E,8E)-9-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenal (3R)-all-trans-3-hydroxyretinal, SCHEMBL11524641, CHEBI:52228, DTXSID401344069, (3R)-3-hydroxy-all-trans-retinal, LMPR01090049, C18196, 3R-HYDROXY-15-APO-.BETA.-CAROTEN-15-AL, Q27123313, (2E,4E,6E,8E)-9-[(4R)-4-hydroxy-2,6,6-trimethylcyclohex-1-en-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenal |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Inchi Key | QPRQNCDEPWLQRO-ZCEAMUHZSA-N |
| Rotatable Bond Count | 5.0 |
| Synonyms | (3R)-3-Hydroxyretinal |
| Heavy Atom Count | 22.0 |
| Compound Name | (3R)-all-trans-3-hydroxyretinal |
| Description | Apo-15-zeaxanthinal, also known as (-)-(R)-all-trans-3-hydroxyretinal, is a member of the class of compounds known as retinoids. Retinoids are oxygenated derivatives of 3,7-dimethyl-1-(2,6,6-trimethylcyclohex-1-enyl)nona-1,3,5,7-tetraene and derivatives thereof. Thus, apo-15-zeaxanthinal is considered to be an isoprenoid lipid molecule. Apo-15-zeaxanthinal is practically insoluble (in water) and an extremely weak acidic compound (based on its pKa). Apo-15-zeaxanthinal can be found in a number of food items such as red bell pepper, pepper (c. annuum), green bell pepper, and italian sweet red pepper, which makes apo-15-zeaxanthinal a potential biomarker for the consumption of these food products. |
| Exact Mass | 300.209 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 300.209 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 554.0 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 300.4 |
| Database Name | fooddb_chem_all;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (2E,4E,6E,8E)-9-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7-dimethylnona-2,4,6,8-tetraenal |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 4.0 |
| Inchi | InChI=1S/C20H28O2/c1-15(7-6-8-16(2)11-12-21)9-10-19-17(3)13-18(22)14-20(19,4)5/h6-12,18,22H,13-14H2,1-5H3/b8-6+,10-9+,15-7+,16-11+/t18-/m1/s1 |
| Smiles | CC1=C(C(C[C@@H](C1)O)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C |
| Xlogp | 4.5 |
| Defined Bond Stereocenter Count | 4.0 |
| Molecular Formula | C20H28O2 |
- 1. Outgoing r'ship
FOUND_INto/from Capsicum Annuum (Plant) Rel Props:Source_db:fooddb_chem_all