Undecanedioic Acid
PubChem CID: 15816
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| Compound Synonyms | UNDECANEDIOIC ACID, 1852-04-6, 1,9-Nonanedicarboxylic acid, 1,9-Nonanedicarboxylicacid, 1,11-Undecanedioic acid, Hendecanedioic acid, Undecanedionic acid, Undecandioic acid, Hendecanedioate, Undecanedioate, Undecanedionate, UNII-7059GFK8NV, 7059GFK8NV, DTXSID0044862, 1,11-Undecanedioate, CHEBI:73713, 1,9-Nonanedicarboxylate, EINECS 217-440-6, MFCD00004444, NSC 400241, NSC-400241, DTXCID8024862, EC 217-440-6, NSC400241, 1052-04-6, Undecandioic acid, 1,11-Undecanedioic acid, Nonamethylenedicarboxylic Acid, 1,9-Nonanedicarboxylic Acid, Hendecanedioic Acid, NSC 400241, undecandisäure, Undecanedioic acid, 97%, bmse000847, bmse000880, Undecane-1,11-dioic acid, SCHEMBL28401, CHEMBL3183300, Tox21_300954, LMFA01170007, s6333, AKOS015919038, CS-W014841, HY-W014125, NCGC00248227-01, NCGC00254856-01, AS-14889, SY051603, CAS-1852-04-6, N0333, NS00002110, Undecanedioic acid, puriss., >=99.0% (GC), EN300-1212389, Q27144063, Z1508914846, 217-440-6, 806-507-0 |
|---|---|
| Topological Polar Surface Area | 74.6 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 15.0 |
| Description | Undecanedioic acid has been found in parts of human aortas with advanced atherosclerotic lesions associated with intercellular matrix macromolecules and specifically with elastin, and may be the result of an increased hydrolysis of esters and (or) a decreased esterification. (PMID: 131675) Undecanedioic acid has been found (among other unusual dicarboxylic acids) in the urine from patients under hopantenate therapy during episodes of Reye's-like syndrome. (PMID: 2331533) [HMDB] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 169.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P10275 |
| Iupac Name | undecanedioic acid |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Xlogp | 2.7 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Molecular Formula | C11H20O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LWBHHRRTOZQPDM-UHFFFAOYSA-N |
| Fcsp3 | 0.8181818181818182 |
| Logs | -2.554 |
| Rotatable Bond Count | 10.0 |
| State | Solid |
| Logd | 3.943 |
| Synonyms | 1,11-Undecanedioate, 1,11-Undecanedioic acid, 1,9-Nonanedicarboxylate, 1,9-Nonanedicarboxylic acid, Hendecanedioate, Hendecanedioic acid, Undecanedioate, Undecanedioic acid, Undecanedionate, Undecanedionic acid |
| Substituent Name | Medium-chain fatty acid, Dicarboxylic acid or derivatives, Carboxylic acid, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aliphatic acyclic compound |
| Compound Name | Undecanedioic Acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 216.136 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 216.136 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 216.27 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Esol | -2.1904173999999994 |
| Inchi | InChI=1S/C11H20O4/c12-10(13)8-6-4-2-1-3-5-7-9-11(14)15/h1-9H2,(H,12,13)(H,14,15) |
| Smiles | C(CCCCC(=O)O)CCCCC(=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Medium-chain fatty acids |
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