Palmitoleate
PubChem CID: 5461012
Connections displayed (default: 10).
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| Compound Synonyms | palmitoleate, (Z)-hexadec-9-enoate, cis-9-hexadecenoate, zoomarate, palmitolinoleate, (9Z)-hexadec-9-enoate, 9-cis-hexadecenoate, cis-Delta(9)-hexadecenoate, (Z)-9-hexadecenoate, CHEBI:32372, (16:1n7), (9Z)-hexadecenoate, C16:1 trans-9, palmitoleic acid (16:1Delta9), SECPZKHBENQXJG-FPLPWBNLSA-M, Q27114906 |
|---|---|
| Topological Polar Surface Area | 40.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 204.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-hexadec-9-enoate |
| Prediction Hob | 1.0 |
| Xlogp | 6.8 |
| Molecular Formula | C16H29O2- |
| Prediction Swissadme | 0.0 |
| Inchi Key | SECPZKHBENQXJG-FPLPWBNLSA-M |
| Fcsp3 | 0.8125 |
| Logs | -3.383 |
| Rotatable Bond Count | 12.0 |
| Logd | 3.177 |
| Compound Name | Palmitoleate |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 253.217 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 253.217 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 253.4 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -5.360017199999998 |
| Inchi | InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/p-1/b8-7- |
| Smiles | CCCCCC/C=C\CCCCCCCC(=O)[O-] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Aquilaria Agallochum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aquilaria Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Chaenomeles Sinensis (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Panax Ginseng (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Raphanus Sativus (Plant) Rel Props:Source_db:cmaup_ingredients