Arachidonic acid-carboxy-14C
PubChem CID: 11822939
Connections displayed (default: 10).
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| Compound Synonyms | Arachidonic acid-carboxy-14C, 3435-81-2, DTXSID40473870 |
|---|---|
| Topological Polar Surface Area | 37.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 22.0 |
| Isotope Atom Count | 1.0 |
| Molecular Complexity | 362.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | (5Z,8Z,11Z,14Z)-(114C)icosa-5,8,11,14-tetraenoic acid |
| Prediction Hob | 0.0 |
| Xlogp | 6.3 |
| Molecular Formula | C20H32O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | YZXBAPSDXZZRGB-XJAQZXCESA-N |
| Fcsp3 | 0.55 |
| Logs | -2.891 |
| Rotatable Bond Count | 14.0 |
| Logd | 3.025 |
| Compound Name | Arachidonic acid-carboxy-14C |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 306.243 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 306.243 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 306.5 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 4.0 |
| Esol | -5.213490700338 |
| Inchi | InChI=1S/C20H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-19H2,1H3,(H,21,22)/b7-6-,10-9-,13-12-,16-15-/i20+2 |
| Smiles | CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCC[14C](=O)O |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 4.0 |
- 1. Outgoing r'ship
FOUND_INto/from Lepidium Campestre (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Lepidium Virginicum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Matteuccia Struthiopteris (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Typha Angustata (Plant) Rel Props:Source_db:cmaup_ingredients