15-Methylhexadecanoic acid
PubChem CID: 164860
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| Compound Synonyms | 15-Methylhexadecanoic acid, 1603-03-8, 15-Methylpalmitic acid, Isoheptadecanoic acid, isomargaric acid, 15-methyl palmitic acid, 15-Methyl hexadecanoic acid, Subtiloheptadecanoic acid, Hexadecanoic acid, 15-methyl-, methylpalmitic acid, 15-methyl-hexadecanoic acid, iso-margaric acid, Z8I04ZY2JB, CHEBI:70850, DTXSID60166853, i-C17:0, i17:0, i-17:0, iso-C17:0, UNII-Z8I04ZY2JB, C17:0 (iso), SCHEMBL346565, DTXCID1089344, HY-N7824, LMFA01020012, MFCD00083427, AKOS040756161, PD078123, TS-08887, CS-0138196, E87692, 15-Methylpalmitic acid, >=98% (capillary GC), Q27139144, 633-902-3 |
|---|---|
| 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 | Branched fatty acids |
| Deep Smiles | CCCCCCCCCCCCCCCC=O)O)))))))))))))))C |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 199.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 15-methylhexadecanoic acid |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.6 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H34O2 |
| Inchi Key | IIUXHTGBZYEGHI-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 14.0 |
| Synonyms | 15-Methyl hexadecanoic acid, 15-Methyl palmitic acid, 15-Methylpalmitic acid, C17:0, I-17:0, I-C17:0, I17:0, Iso-C17:0, Iso-margaric acid, Isomargaric acid, 15-Methyl hexadecanoate, 15-Methyl palmitate, Iso-margarate, Isomargarate, 15-Methylpalmitate, Isoheptadecanoate, 15-methyl-hexadecanoic-acid |
| Esol Class | Moderately soluble |
| Functional Groups | CC(=O)O |
| Compound Name | 15-Methylhexadecanoic acid |
| Kingdom | Organic compounds |
| Exact Mass | 270.256 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 270.256 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 270.5 |
| Gi Absorption | True |
| 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 |
| Inchi | InChI=1S/C17H34O2/c1-16(2)14-12-10-8-6-4-3-5-7-9-11-13-15-17(18)19/h16H,3-15H2,1-2H3,(H,18,19) |
| Smiles | CC(C)CCCCCCCCCCCCCC(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Long-chain fatty acids |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Aloe Vera (Plant) Rel Props:Reference:https://doi.org/10.15482/usda.adc/1239279