Tetratriacontanoic acid
PubChem CID: 94485
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| Compound Synonyms | Tetratriacontanoic acid, Geddic acid, Gheddic acid, 38232-04-1, n-tetratriacontanoic acid, VE67QZ85C0, C34:0, UNII-VE67QZ85C0, Ghedoic acid, SCHEMBL135988, CHEBI:76216, DTXSID00191624, LMFA01010034, FA 34:0, Q2823321 |
|---|---|
| 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 | Hydroxy fatty acids, Unsaturated fatty acids |
| Deep Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC=O)O |
| Heavy Atom Count | 36.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 406.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | tetratriacontanoic acid |
| Prediction Hob | 0.0 |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 16.1 |
| Gsk 4 400 Rule | False |
| Molecular Formula | C34H68O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | UTGPYHWDXYRYGT-UHFFFAOYSA-N |
| Silicos It Class | Insoluble |
| Fcsp3 | 0.9705882352941176 |
| Logs | 0.068 |
| Rotatable Bond Count | 32.0 |
| Logd | 0.149 |
| Synonyms | tetratriacontanoic acid |
| Esol Class | Insoluble |
| Functional Groups | CC(=O)O |
| Compound Name | Tetratriacontanoic acid |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 508.522 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 508.522 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 508.9 |
| Gi Absorption | False |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | False |
| Esol | -11.511379200000002 |
| Inchi | InChI=1S/C34H68O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34(35)36/h2-33H2,1H3,(H,35,36) |
| Smiles | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O |
| Nring | 1.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | False |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Acmella Paniculata (Plant) Rel Props:Reference:ISBN:9788185042138 - 2. Outgoing r'ship
FOUND_INto/from Citrus Aurantium (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Citrus Natsudaidai (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Citrus Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Citrus Trifoliata (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Convolvulus Prostratus (Plant) Rel Props:Reference:ISBN:9788171360536 - 7. Outgoing r'ship
FOUND_INto/from Diplazium Esculentum (Plant) Rel Props:Reference:ISBN:9770972795006 - 8. Outgoing r'ship
FOUND_INto/from Duboisia Myoporoides (Plant) Rel Props:Reference:ISBN:9788185042138 - 9. Outgoing r'ship
FOUND_INto/from Gouania Leptostachya (Plant) Rel Props:Reference:ISBN:9780387706375 - 10. Outgoing r'ship
FOUND_INto/from Helicteres Isora (Plant) Rel Props:Reference:ISBN:9780387706375 - 11. Outgoing r'ship
FOUND_INto/from Scutia Myrtina (Plant) Rel Props:Reference:ISBN:9788185042084 - 12. Outgoing r'ship
FOUND_INto/from Solanum Torvum (Plant) Rel Props:Reference:ISBN:9788172361150 - 13. Outgoing r'ship
FOUND_INto/from Solanum Tuberosum (Plant) Rel Props:Reference:ISBN:9788172361150