Hexacosanoic Acid
PubChem CID: 10469
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| Compound Synonyms | HEXACOSANOIC ACID, 506-46-7, Cerotic acid, Ceratinic acid, Ceric acid, Cerinic acid, Hexacosanic acid, Cerylic acid, n-Hexacosanoic acid, Cerotinic acid, Hexacosansaeure, hexacosoic acid, hexaeicosanoic acid, D42CQN6P36, CHEBI:31009, C26:0, NSC 4205, NSC-4205, EINECS 208-040-2, MFCD00002811, hexacosanoate (n-C26:0), CH3-[CH2]24-COOH, DTXSID7075050, NSC4205, cerate, ceratinate, cerinate, n-C26:0, n-hexacosanoate, FA 26:0, FA(26:0), CH3-(CH2)24-COOH, HEXACOSANOICACID, UNII-D42CQN6P36, Ceratinic acid, Ceric acid, Cerotic acid (6CI,7CI), Very Long Chain Fatty Acid, CEROTIC ACID [INCI], SCHEMBL134632, CHEMBL464787, Hexacosanoic acid (8CI,9CI), C26:0 (VLCFA), DTXCID2040862, LMFA01010026, MSK159770, Hexacosanoic acid, analytical standard, AKOS015892942, Cerotic acid, Ceratinic acid, Ceric acid, FH23777, AS-47827, 1ST159770, DB-008615, Hexacosanoic acid, >=95% (capillary GC), HY-113301, CS-0059548, Hexacosanoic acid, technical, >=90% (GC), NS00013439, C21931, F16302, Q903348, Hexacosanoic acid 100 microg/mL in Dichloromethane, D1350C66-1C64-4B94-A33A-412D70EF327D, 208-040-2 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Np Classifier Class | Unsaturated fatty acids |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCC=O)O |
| Heavy Atom Count | 28.0 |
| Classyfire Class | Fatty acyls |
| Description | Hexacosanoic acid, also known as N-hexacosanoate or c26:0, is a member of the class of compounds known as very long-chain fatty acids. Very long-chain fatty acids are fatty acids with an aliphatic tail that contains at least 22 carbon atoms. Thus, hexacosanoic acid is considered to be a fatty acid lipid molecule. Hexacosanoic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Hexacosanoic acid can be found in a number of food items such as dandelion, potato, cottonseed, and sugar apple, which makes hexacosanoic acid a potential biomarker for the consumption of these food products. Hexacosanoic acid can be found primarily in blood, as well as in human adrenal gland and fibroblasts tissues. Hexacosanoic acid exists in all eukaryotes, ranging from yeast to humans. In humans, hexacosanoic acid is involved in a couple of metabolic pathways, which include adrenoleukodystrophy, x-linked and beta oxidation of very long chain fatty acids. Hexacosanoic acid is also involved in carnitine-acylcarnitine translocase deficiency, which is a metabolic disorder. Moreover, hexacosanoic acid is found to be associated with adrenomyeloneuropathy, peroxisomal biogenesis defect, and adrenoleukodystrophy, neonatal. Hexacosanoic acid is a non-carcinogenic (not listed by IARC) potentially toxic compound. Cerotic acid is also a type of very long chain fatty acid that is often associated with the disease adrenoleukodystrophy, which involves the excessive saturation of unmetabolized fatty acid chains, including cerotic acid, in the peroxisome. [In the chem box it is shown folded only because of lack of space. In fact, it is a straight-chain, saturated fatty acid.] . Treatment options for adrenoleukodystrophy (ALD) are limited. Dietary treatment is with Lorenzo's oil. For the childhood cerebral form, stem cell transplant and gene therapy are options if the disease is detected early in the clinical course. Adrenal insufficiency in ALD patients can be successfully treated (T3DB). |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 301.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P33121 |
| Iupac Name | hexacosanoic acid |
| Prediction Hob | 0.0 |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 11.8 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | False |
| Molecular Formula | C26H52O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | XMHIUKTWLZUKEX-UHFFFAOYSA-N |
| Silicos It Class | Poorly soluble |
| Fcsp3 | 0.9615384615384616 |
| Rotatable Bond Count | 24.0 |
| State | Solid |
| Synonyms | C26:0, Ceratinic acid, Ceric acid, Cerinic acid, Cerotic acid, Cerotinic acid, Cerylic acid, CH3-[CH2]24-COOH, Hexacosansaeure, Hexacosoic acid, Hexaeicosanoic acid, N-C26:0, N-Hexacosanoic acid, Ceratinate, Cerate, Cerinate, Cerotate, Cerotinate, Cerylate, Hexacosoate, Hexaeicosanoate, N-Hexacosanoate, Hexacosanoate, Hexacosanoate (N-C26:0), Hexacosanoic acid, FA(26:0), cerotic acid, cerotic-acid, hexacosanoic, hexacosanoic acid |
| Esol Class | Poorly soluble |
| Functional Groups | CC(=O)O |
| Compound Name | Hexacosanoic Acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 396.397 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 396.397 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 396.7 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -8.615740000000002 |
| Inchi | InChI=1S/C26H52O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h2-25H2,1H3,(H,27,28) |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Taxonomy Direct Parent | Very long-chain fatty acids |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Abies Nobilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Acmella Oleracea (Plant) Rel Props:Reference:ISBN:9780387706375 - 3. Outgoing r'ship
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FOUND_INto/from Agnorhiza Bolanderi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
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FOUND_INto/from Alkanna Hirsutissima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
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FOUND_INto/from Anisomeles Indica (Plant) Rel Props:Reference:ISBN:9788185042084 - 13. Outgoing r'ship
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FOUND_INto/from Arachis Hypogaea (Plant) Rel Props:Source_db:fooddb_chem_all - 15. Outgoing r'ship
FOUND_INto/from Arachniodes Exilis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 16. Outgoing r'ship
FOUND_INto/from Araujia Sericifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 17. Outgoing r'ship
FOUND_INto/from Argemone Ochroleuca (Plant) Rel Props:Reference:ISBN:9770972795006 - 18. Outgoing r'ship
FOUND_INto/from Aria Pallescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 19. Outgoing r'ship
FOUND_INto/from Aristolochia Indica (Plant) Rel Props:Reference:ISBN:9788172362089 - 20. Outgoing r'ship
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FOUND_INto/from Castanea Mollissima (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 31. Outgoing r'ship
FOUND_INto/from Celosia Argentea (Plant) Rel Props:Reference:ISBN:9788185042114 - 32. Outgoing r'ship
FOUND_INto/from Chloranthus Tianmushanensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 33. Outgoing r'ship
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FOUND_INto/from Chromolaena Pulchella (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 35. Outgoing r'ship
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FOUND_INto/from Echinops Amplexicaulis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 53. Outgoing r'ship
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FOUND_INto/from Terminalia Chebula (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 129. Outgoing r'ship
FOUND_INto/from Toddalia Asiatica (Plant) Rel Props:Reference:ISBN:9788185042114 - 130. Outgoing r'ship
FOUND_INto/from Trichosanthes Rosthornii (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 131. Outgoing r'ship
FOUND_INto/from Trichosanthes Tricuspidata (Plant) Rel Props:Reference:ISBN:9788172361792; ISBN:9788185042114 - 132. Outgoing r'ship
FOUND_INto/from Ulmus Wallichiana (Plant) Rel Props:Source_db:npass_chem_all - 133. Outgoing r'ship
FOUND_INto/from Valeriana Jatamansi (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 134. Outgoing r'ship
FOUND_INto/from Vallaris Solanacea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 135. Outgoing r'ship
FOUND_INto/from Viscum Coloratum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 136. Outgoing r'ship
FOUND_INto/from Vitex Madiensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 137. Outgoing r'ship
FOUND_INto/from Vitex Trifolia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 138. Outgoing r'ship
FOUND_INto/from Ximenia Americana (Plant) Rel Props:Source_db:npass_chem_all