12-Methyltetradecanoic acid
PubChem CID: 21672
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| Compound Synonyms | 12-Methyltetradecanoic acid, 5502-94-3, Sarcinic acid, Aseanostatin P5, ANTEISOPENTADECANOIC ACID, 12-methyl myristic acid, 12-methyl-tetradecanoic acid, methyl myristic acid, 12-MTA, anteiso-C15:0, Tetradecanoic acid, 12-methyl-, (S)-Aseanostatin P5, TP0OL0Z8US, CHEBI:39251, UNII-TP0OL0Z8US, anteiso-15:0, 12-Methyl tetradecanoic acid, anteiso-C15, 15:0 anteiso, 12-methylmyristic acid, 12-Methyltetradecansaeure, 12-Methyl-tetradecansaeure, Compound NP-024794, C15:0ai, AI-PENTADECANOIC ACID, 15:0ai, MLS000517264, SCHEMBL397325, (+)-12-methyl myristic acid, CHEMBL495852, aC15:0, 12-METHYLTETRADECANOICACID, DTXSID10970381, XKLJLHAPJBUBNL-UHFFFAOYSA-N, HMS2267L13, a15:0, LMFA01020008, MFCD00083664, AKOS040736981, NCGC00247048-01, PD077349, SMR000127417, (+/-)-12-METHYLTETRADECANOIC ACID, HY-121943, CS-0083723, Q27119789, 12-Methyltetradecanoic acid, Sarcinic acid, Aseanostatin P5 |
|---|---|
| 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 | CCCCCCCCCCCCCC=O)O))))))))))))C |
| Heavy Atom Count | 17.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 178.0 |
| Database Name | fooddb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | O75164, P11473, O95149, P83916, P39748, Q9UNA4, Q9Y253, P29990, Q13526, Q8WZA2, O94782, O95398, P53350 |
| Iupac Name | 12-methyltetradecanoic acid |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.5 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C15H30O2 |
| Inchi Key | XKLJLHAPJBUBNL-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 12.0 |
| Synonyms | 12-methyl-tetradecanoic acid |
| Esol Class | Moderately soluble |
| Functional Groups | CC(=O)O |
| Compound Name | 12-Methyltetradecanoic acid |
| Exact Mass | 242.225 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 242.225 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 242.4 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C15H30O2/c1-3-14(2)12-10-8-6-4-5-7-9-11-13-15(16)17/h14H,3-13H2,1-2H3,(H,16,17) |
| Smiles | CCC(C)CCCCCCCCCCC(=O)O |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Salvia Plebeia (Plant) Rel Props:Reference:ISBN:9788185042084