Hexadecanedioic acid
PubChem CID: 10459
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| Compound Synonyms | HEXADECANEDIOIC ACID, 505-54-4, Thapsic acid, 1,16-Hexadecanedioic acid, 1,14-Tetradecanedicarboxylic acid, Thaspic acid, Hexadecane-1,16-dioic acid, Thapsate, SVZ90045Y2, EINECS 208-013-5, MFCD00002746, NSC 15164, NSC-15164, n-Tetradecane-.omega.,.omega.'-dicarboxylic acid, 1,14-Tetradecanedicarboxylate, UNII-SVZ90045Y2, n-Tetradecane-omega,omega'-dicarboxylic acid, DTXSID2060129, CHEBI:73722, NSC15164, Dicarboxylic acid C16, 1,16-hexadecanedioate, HEXADECANEDIOICACID, Hexadecandioic acid, 1,14-tetradecane dicarboxylic acid, a,w-Tetradecanedicarboxylate, Hexadecanedioic acid, 96%, SCHEMBL36069, MEGxp0_000578, a,w-Tetradecanedicarboxylic acid, CHEMBL4519590, DTXCID9040847, n-Tetradecane-w,w'-dicarboxylate, BCP25937, LMFA01170022, n-Tetradecane-w,w'-dicarboxylic acid, s6147, AKOS015839798, alpha,Omega-tetradecanedicarboxylic acid, CS-W018947, HY-W018161, AC-32524, AS-11659, FH140370, SY047592, Thapsic acid, Hexadecanedioate, Palmitic acid, DB-051793, H0293, NS00015590, Hexadecanedioic acid, purum, >=98.0% (GC), C19615, Q27144068, 208-013-5, RF8 |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 20.0 |
| Description | Hexadecanedioic acid is activated by mitochondrial and microsomal fractions in liver (PMID 4372285). It has an antitumor activity (PMID 14987827). Hexadecanedioic acid is found in sweet cherry and potato. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 225.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P29373 |
| Iupac Name | hexadecanedioic acid |
| Nih Violation | True |
| Class | Fatty Acyls |
| Xlogp | 5.4 |
| Superclass | Lipids and lipid-like molecules |
| Is Pains | False |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C16H30O4 |
| Inchi Key | QQHJDPROMQRDLA-UHFFFAOYSA-N |
| Rotatable Bond Count | 15.0 |
| State | Solid |
| Synonyms | 1, 14-Tetradecanedicarboxylic 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, Hexadecane-1,16-dioic acid, Hexadecanedioate, Hexadecanedioic, N-tetradecane-.omega.,.omega.'-dicarboxylic acid, N-tetradecane-omega,omega'-dicarboxylic acid, N-tetradecane-w,w'-dicarboxylate, N-tetradecane-w,w'-dicarboxylic acid, Thapsate, Thapsic acid, Α,ω-tetrαdecαnedicαrboxylαte, N-Tetradecane-ω,ω'-dicarboxylate, N-Tetradecane-ω,ω'-dicarboxylic acid, alpha,Omega-tetradecanedicarboxylic acid, N-Tetradecane-omega,omega'-dicarboxylic acid, N-Tetradecane-ω,ω’-dicarboxylic acid, Α,ω-tetradecanedicarboxylic acid, Hexadecanedioic acid |
| Substituent Name | Long-chain fatty acid, Dicarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Compound Name | Hexadecanedioic acid |
| Kingdom | Organic compounds |
| Exact Mass | 286.214 |
| Formal Charge | 0.0 |
| Brenk Violation | True |
| Monoisotopic Mass | 286.214 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 286.41 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| 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) |
| Smiles | C(CCCCCCCC(=O)O)CCCCCCC(=O)O |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Long-chain fatty acids |
- 1. Outgoing r'ship
FOUND_INto/from Prunus Avium (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Source_db:fooddb_chem_all