Heptadecenoic Acid
PubChem CID: 5312435
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| Compound Synonyms | cis-10-Heptadecenoic acid, 29743-97-3, (Z)-heptadec-10-enoic acid, (10Z)-10-Heptadecenoic acid, 10Z-heptadecenoic acid, H8A6DO053E, (10Z)-heptadec-10-enoic acid, DTXSID801020803, 10-Heptadecenoic acid (17:1(n-7)), 10-Heptadecenoic acid, (10Z)-, 10-cis-heptadecenoic acid, C17:1n-7, cis-10-Heptadecenoic Acid (Solution in ethanol), UNII-H8A6DO053E, heptadecenoic acids, MFCD00133175, fatty acid 17:1, (10Z)-heptadecenoic acid, cis-tetradec-10-enoic acid, (Z)-heptadec-10-enoicacid, C17:1 n-7 cis, 17:1 n-7 cis, SCHEMBL455688, CHEBI:36001, CHEBI:75094, MSK1734, GDTXICBNEOEPAZ-FPLPWBNLSA-N, DTXCID001505188, EBA74397, LMFA01030283, cis-10-Heptadecenoic acid, >=99%, AKOS015839834, 1ST1734, BS-48910, DB-318919, HY-116037, C17:1, CS-0063575, E78066, Q27145121, Z 10-Heptadecenoic Acid, 10Z-Heptadecenoic Acid, Z 10-Heptadecenoic Acid, , 28040-00-8, 636-906-3 |
|---|---|
| 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 | Unsaturated fatty acids |
| Deep Smiles | CCCCCC/C=CCCCCCCCCC=O)O |
| Heavy Atom Count | 19.0 |
| Classyfire Class | Fatty acyls |
| Classyfire Subclass | Fatty acids and conjugates |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 221.0 |
| Database Name | hmdb_chem_all;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-heptadec-10-enoic acid |
| Class | Fatty Acyls |
| Veber Rule | False |
| Classyfire Superclass | Lipids and lipid-like molecules |
| Xlogp | 6.9 |
| Superclass | Lipids and lipid-like molecules |
| Subclass | Fatty acids and conjugates |
| Gsk 4 400 Rule | False |
| Molecular Formula | C17H32O2 |
| Inchi Key | GDTXICBNEOEPAZ-FPLPWBNLSA-N |
| Silicos It Class | Moderately soluble |
| Rotatable Bond Count | 14.0 |
| Synonyms | (10Z)-10-Heptadecenoic acid, (10Z)-Heptadec-10-enoic acid, 17:1 N-7 cis, C17:1 N-7 cis, cis-10-Heptadecenoic acid, cis-Tetradec-10-enoic acid, (10Z)-10-Heptadecenoate, (10Z)-Heptadec-10-enoate, cis-10-Heptadecenoate, cis-Tetradec-10-enoate, 10Z-Heptadecenoate, (Z)-10-Heptadecenoic acid, 10-cis-Heptadecenoic acid, 10-Heptadecenoate (17:1n7), FA(17:1(10Z)), 10Z-Heptadecenoic acid, 10-Heptadecenoate, FA(17:1n7), (10Z)-Heptadecenoate, cis-10-heptadecenoic acid |
| Esol Class | Moderately soluble |
| Functional Groups | C/C=CC, CC(=O)O |
| Compound Name | Heptadecenoic Acid |
| Kingdom | Organic compounds |
| Exact Mass | 268.24 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 268.24 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 268.4 |
| 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 |
| Inchi | InChI=1S/C17H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19/h7-8H,2-6,9-16H2,1H3,(H,18,19)/b8-7- |
| Smiles | CCCCCC/C=C\CCCCCCCCC(=O)O |
| 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 Persicaria Bistorta (Plant) Rel Props:Reference:https://doi.org/10.1080/0972060x.2012.10662600