14-Methylpentadecanoic acid
PubChem CID: 36247
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| Compound Synonyms | 14-Methylpentadecanoic acid, ISOPALMITIC ACID, Isohexadecanoic acid, 4669-02-7, 32844-67-0, Pentadecanoic acid, 14-methyl-, IHU3LRR6SX, 14-methyl-pentadecanoic acid, UNII-IHU3LRR6SX, EINECS 251-256-7, 14-methyl pentadecylic acid, DTXSID9067726, CHEBI:84890, isopalmitate, 14-Methylpentadecanoicacid, Iso-C16:0, SCHEMBL398305, DTXCID0038590, FA(i-16:0), LMFA01020010, AKOS040734888, BS-1366, HY-W127484, PD164108, Isopalmitic acid, >=98% (capillary GC), CS-0185712, NS00029361, Q27158155, 251-256-7, 636-922-0 |
|---|---|
| Ghose Rule | True |
| 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 | CCCCCCCCCCCCCCC=O)O))))))))))))))C |
| Heavy Atom Count | 18.0 |
| Classyfire Class | Fatty acyls |
| Description | Occurs in butterfat. Isopalmitic acid is found in milk and milk products. |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 188.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 14-methylpentadecanoic acid |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.1 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | False |
| Molecular Formula | C16H32O2 |
| Inchi Key | ZONJATNKKGGVSU-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 13.0 |
| State | Solid |
| Synonyms | 3,4-dihydroxyphenyl Thiocyanate, 4-Thiocyanatopyrocatechol, Isopalmitic acid, Thiocyanic acid, 3,4-dihydroxyphenyl ester, Isopalmitate, 3,4-Dihydroxyphenyl thiocyanate, Iso-C16:0, Isohexadecanoic acid, FA(i-16:0), isohexadecanoic acid, isopalmitic acid |
| Esol Class | Moderately soluble |
| Functional Groups | CC(=O)O |
| Compound Name | 14-Methylpentadecanoic acid |
| Kingdom | Organic compounds |
| Exact Mass | 256.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 256.42 |
| 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/C16H32O2/c1-15(2)13-11-9-7-5-3-4-6-8-10-12-14-16(17)18/h15H,3-14H2,1-2H3,(H,17,18) |
| Smiles | CC(C)CCCCCCCCCCCCC(=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 Elaeocarpus Serratus (Plant) Rel Props:Reference:ISBN:9788185042114 - 2. Outgoing r'ship
FOUND_INto/from Medicago Sativa (Plant) Rel Props:Reference:ISBN:9788185042138