(Z)-4-Decenoic acid
PubChem CID: 5312351
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| Compound Synonyms | 505-90-8, Obtusilic acid, (Z)-4-Decenoic acid, cis-4-Decenoic acid, (Z)-dec-4-enoic acid, 4-cis-Decenoic acid, UNII-6PR4L1KTAZ, 6PR4L1KTAZ, 4Z-decenoic acid, cis-obtusilic acid, (4Z)-4-DECENOIC ACID, EINECS 208-024-5, (4Z)-dec-4-enoic acid, cis-4-decenoate, (Z)-4-decenoate, C10:1n-6, Dec-4c-ensaeure, dec-4c-enoic acid, Z-4-decenoic acid, cis-Decen-4-saeure, cis-Delta(4)-decenoic acid, 4-Decenoic acid, (4Z)-, SCHEMBL371612, FEMA NO. 3914, CHEBI:32380, 4-DECENOIC ACID, (Z)-, XKZKQTCECFWKBN-SREVYHEPSA-N, DTXSID001315543, DEC-4-ENOIC ACID, (Z)-, FEMA NO. 3914, Z-, LMFA01030199, AKOS006281829, C10:1 (n-6), DB-258373, NS00042885, 10:1 (n-6), Q27114909 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 12.0 |
| Description | Occurs in hops and beer. Comly. available flavour ingredient. 4-Decenoic acid is found in alcoholic beverages. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (Z)-dec-4-enoic acid |
| Prediction Hob | 1.0 |
| Class | Purine nucleotides |
| Xlogp | 3.1 |
| Superclass | Nucleosides, nucleotides, and analogues |
| Subclass | Purine nucleotide sugars |
| Molecular Formula | C10H18O2 |
| Prediction Swissadme | 1.0 |
| Inchi Key | XKZKQTCECFWKBN-SREVYHEPSA-N |
| Fcsp3 | 0.7 |
| Rotatable Bond Count | 7.0 |
| State | Solid |
| Synonyms | 2'-Oadenosine 5'-[3-(D-ribofuranosyl) dihydrogen diate], ADP-D-Ribose 2'-ate, ADPribose 2'-ate, FEMA 3914 |
| Substituent Name | Purine nucleotide sugar, Purine ribonucleoside diphosphate, Purine ribonucleoside bisphosphate, Purine ribonucleoside 2',5'-bisphosphate, N-glycosyl compound, Glycosyl compound, Organic pyrophosphate, Monosaccharide phosphate, 6-aminopurine, Purine, Imidazopyrimidine, Monoalkyl phosphate, Aminopyrimidine, Imidolactam, Alkyl phosphate, Pyrimidine, Primary aromatic amine, Phosphoric acid ester, Organic phosphoric acid derivative, Organic phosphate, N-substituted imidazole, Monosaccharide, Saccharide, Heteroaromatic compound, Oxolane, Imidazole, Azole, Secondary alcohol, 1,2-diol, Oxacycle, Azacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Primary amine, Primary alcohol, Organooxygen compound, Organonitrogen compound, Amine, Alcohol, Aromatic heteropolycyclic compound |
| Compound Name | (Z)-4-Decenoic acid |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 170.131 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 170.131 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 170.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 1.0 |
| Esol | -2.3991624 |
| Inchi | InChI=1S/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h6-7H,2-5,8-9H2,1H3,(H,11,12)/b7-6- |
| Smiles | CCCCC/C=C\CCC(=O)O |
| Defined Bond Stereocenter Count | 1.0 |
- 1. Outgoing r'ship
FOUND_INto/from Bursera Simaruba (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Callistemon Speciosus (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Cephalaria Leucantha (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Cissus Quadrangularis (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Coleus Wulfenioides (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Delphinium Denudatum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Diplacus Aurantiacus (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Ericameria Laricifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Eupatorium Rebaudianum (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Lindera Obtusiloba (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Litsea Cubeba (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Litsea Pungens (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Mentha Incana (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Ormosia Fordiana (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Podocarpus Elatus (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Polanisia Trachysperma (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Polygala Senega (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Solanum Boerhaavii (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Vachellia Karroo (Plant) Rel Props:Source_db:cmaup_ingredients