9-cis-Retinyl Palmitate
PubChem CID: 13014097
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| Compound Synonyms | 9-cis-Retinyl Palmitate, 34356-29-1, 9-cis-Vitamin A Palmitate, [(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] hexadecanoate, (2E,4E,6Z,8E)-3,7-Dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl palmitate, (9-cis)-Retinol Hexadecanoate, Retinol, 15-hexadecanoate, 9-cis-, Retinol, hexadecanoate, 9-cis- (9CI), Retinol, palmitate, 9-cis- (8CI), 9-cis-Retinyl palmitate, 9-cis-Vitamin A palmitate, 9-cis-Retinol Palmitate, starbld0005192, 9-cis-retinyl hexadecanoate, HY-N8356A, DTXSID50515210, CHEBI:138725, VYGQUTWHTHXGQB-UMNZIDCRSA-N, (9cis)-O(15)-hexadecanoylretinol, (9cis)-O~15~-Hexadecanoylretinol, AKOS040758060, FR27721, CS-0143536, (2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohex-1-en-1-yl)nona-2,4,6,8-tetraen-1-yl hexadecanoate |
|---|---|
| Topological Polar Surface Area | 26.3 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 38.0 |
| Pathway Kegg Map Id | map00830 |
| Description | Nutrient, appearance control agent for colours and colour modifiers. Found in fish liver oils. Dietary supplement, permitted in infant formulas Palmitate is an antioxidant and a vitamin A compound added to low fat milk and other dairy products to replace the vitamin content lost through the removal of milk fat. Palmitate is attached to the alcohol form of vitamin A, retinol, in order to make vitamin A stable in milk.[citation needed], Retinyl palmitate is a synthetic alternate for retinyl acetate in vitamin A supplements, and is available in oily or dry forms. It is a common vitamin supplement, available in both oral and injectable forms for treatment of vitamin A deficiency, under the brand names Aquasol A, Palmitate A and many others. It is a pre-formed version of vitamin A, and can thus be realistically over-dosed, unlike beta-carotene., Retinyl palmitate, or vitamin A palmitate, is a common vitamin supplement, with formula C36H60O2. It is available in both oral and injectable forms for treatment of vitamin A deficiency, under the brand names Aquasol and Palmitate., Retinyl palmitate is an alternate for retinyl acetate in vitamin A supplements, and is available in oily or dry forms. It is a pre-formed version of vitamin A, and can thus be realistically over-dosed, unlike beta-carotene. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 803.0 |
| Database Name | fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Enzyme Uniprot Id | O75907, O95237, Q58HT5, Q6E213 |
| Iupac Name | [(2E,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] hexadecanoate |
| Nih Violation | True |
| Class | Fatty Acyls |
| Xlogp | 13.6 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Fatty acid esters |
| Molecular Formula | C36H60O2 |
| Inchi Key | VYGQUTWHTHXGQB-UMNZIDCRSA-N |
| Rotatable Bond Count | 21.0 |
| State | Solid |
| Synonyms | All-trans-retinol palmitate, all-trans-Retinyl hexadecanoate, all-trans-Retinyl hexadecanoic acid, All-trans-retinyl palmitate, all-trans-Retinyl palmitic acid, All-trans-vitamin a palmitate, Aquapalm, Aquasol a, Aquasol a (TN), Arovit, Arovit (roche), Axerophthol palmitate, Chocola a, Chocola_a, Del-vi-a, Dispatabs tabs, Ester found in fish liver oils, Lutavit A 500 Plus, O~15~-hexadecanoylretinol, O~15~-palmitoylretinol, Optovit a, Optovit-a, Palmitic acid, ester with retinol, Retinol palmitate, Retinol palmitate (6CI,7CI), Retinol palmitate (JP15), Retinol palmitic acid, Retinol-palmitate, Retinol, all-trans-, palmitate, Retinol, hexadecanoate, retinol, O~15~-(1-oxohexadecyl)-, Retinol, palmitate, all-trans-, Retinol, palmitate, all-trans- (8CI), Retinyl hexadecanoate, Retinyl hexadecanoic acid, Retinyl palmitate, Retinyl palmitic acid, Testavol s, Trans-retinol palmitate, Trans-retinyl palmitate, Vi-dom-a, Vitamin A palmitate, Vitamin a palmitic acid, Vitamin a solubilized, Vitamin- a palmitate, Vitazyme a |
| Substituent Name | Wax monoester skeleton, Retinoid skeleton, Diterpenoid, Fatty alcohol ester, Carboxylic acid ester, Monocarboxylic acid or derivatives, Ether, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic homomonocyclic compound |
| Compound Name | 9-cis-Retinyl Palmitate |
| Kingdom | Organic compounds |
| Exact Mass | 524.459 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 524.459 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 524.9 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 4.0 |
| Inchi | InChI=1S/C36H60O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35(37)38-30-28-32(3)23-20-22-31(2)26-27-34-33(4)24-21-29-36(34,5)6/h20,22-23,26-28H,7-19,21,24-25,29-30H2,1-6H3/b23-20+,27-26+,31-22-,32-28+ |
| Smiles | CCCCCCCCCCCCCCCC(=O)OC/C=C(\C)/C=C/C=C(/C)\C=C\C1=C(CCCC1(C)C)C |
| Defined Bond Stereocenter Count | 4.0 |
- 1. Outgoing r'ship
FOUND_INto/from Apium Graveolens (Plant) Rel Props:Source_db:fooddb_chem_all