7Z-tetradecenoic acid
PubChem CID: 5312401
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| Compound Synonyms | 7Z-tetradecenoic acid, (Z)-tetradec-7-enoic acid, (Z)-7-tetradecenoic acid, Tetradec-7c-ensaeure, tetradec-7c-enoic acid, Tetradecen-(7c)-saeure, 2430-95-7, cis-tetradec-7-enoic acid, acido cis-7-tetradecenoico, acide cis-7-tetradecenoique, (7Z)-tetradec-7-enic acid, Tetradecensaeure(cis-Delta(7)), (cis-Delta(7))-tetradecenoic acid, C14:1n-7, 7Z-Tetradecenoate, Tetradec-7C-enoate, (Z)-7-Tetradecenoate, Z-7-Tetradecenoic acid, (Z)-Tetradec-7-enoate, (7Z)-Tetradec-7-enate, (Z)-tetradec-7-enoicacid, (7Z)-tetradec-7-enoic acid, (cis-delta(7))-Tetradecenoate, SCHEMBL2574275, (7Z)-7-Tetradecenoic acid #, CHEBI:53206, LMFA01030249, G64045, Q27124018 |
|---|---|
| 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 | Unsaturated fatty acids |
| Deep Smiles | CCCCCC/C=CCCCCCC=O)O |
| Heavy Atom Count | 16.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 185.0 |
| Database Name | cmaup_ingredients;hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-tetradec-7-enoic acid |
| Prediction Hob | 1.0 |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 5.4 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | False |
| Molecular Formula | C14H26O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZVXDGKJSUPWREP-FPLPWBNLSA-N |
| Silicos It Class | Soluble |
| Fcsp3 | 0.7857142857142857 |
| Logs | -3.273 |
| Rotatable Bond Count | 11.0 |
| Logd | 0.23 |
| Synonyms | (7Z)-Tetradec-7-enic acid, (cis-Delta(7))-Tetradecenoic acid, (Z)-7-Tetradecenoic acid, (Z)-Tetradec-7-enoic acid, 7Z-Tetradecenoic acid, Acide cis-7-tetradecenoique, Acido cis-7-tetradecenoico, Tetradec-7C-enoic acid, Tetradec-7C-ensaeure, Tetradecen-(7C)-saeure, Tetradecensaeure(cis-Delta(7)), (7Z)-Tetradec-7-enate, (cis-delta(7))-Tetradecenoate, (cis-Δ(7))-tetradecenoate, (cis-Δ(7))-tetradecenoic acid, (Z)-7-Tetradecenoate, (Z)-Tetradec-7-enoate, 7Z-Tetradecenoate, Tetradec-7C-enoate, Tetradecensaeure(cis-δ(7)), cis-Tetradec-7-enoate, (z)-7-tetradecenoic acid |
| Esol Class | Soluble |
| Functional Groups | C/C=CC, CC(=O)O |
| Compound Name | 7Z-tetradecenoic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 226.193 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 226.193 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 226.35 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Molecular Framework | Aliphatic acyclic compounds |
| Lipinski Rule Of 5 | True |
| Esol | -3.9824319999999993 |
| Inchi | InChI=1S/C14H26O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h7-8H,2-6,9-13H2,1H3,(H,15,16)/b8-7- |
| Smiles | CCCCCC/C=C\CCCCCC(=O)O |
| Nring | 4.0 |
| Np Classifier Biosynthetic Pathway | Fatty acids |
| Defined Bond Stereocenter Count | 1.0 |
| Egan Rule | True |
| Taxonomy Direct Parent | Long-chain fatty acids |
| Np Classifier Superclass | Fatty Acids and Conjugates |
- 1. Outgoing r'ship
FOUND_INto/from Eryngium Foetidum (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2008.10643612 - 2. Outgoing r'ship
FOUND_INto/from Ziziphus Glabrata (Plant) Rel Props:Reference: - 3. Outgoing r'ship
FOUND_INto/from Ziziphus Jujuba (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Ziziphus Mauritiana (Plant) Rel Props:Reference: - 5. Outgoing r'ship
FOUND_INto/from Ziziphus Nummularia (Plant) Rel Props:Reference: - 6. Outgoing r'ship
FOUND_INto/from Ziziphus Oenoplia (Plant) Rel Props:Reference: - 7. Outgoing r'ship
FOUND_INto/from Ziziphus Oenopolia (Plant) Rel Props:Reference: - 8. Outgoing r'ship
FOUND_INto/from Ziziphus Rugosa (Plant) Rel Props:Reference: - 9. Outgoing r'ship
FOUND_INto/from Ziziphus Sativa (Plant) Rel Props:Reference: - 10. Outgoing r'ship
FOUND_INto/from Ziziphus Xylopyrus (Plant) Rel Props:Reference: