Metabolite 20-HETE
- Name
- 20-HETE
- Description
- Not Available
- Structure
Structure for 20-HETE
- Synonyms
- Not Available
- UNII
- Not Available
- CAS number
- Not Available
- Weight
- Average: 320.4663
Monoisotopic: 320.23514489 - Chemical Formula
- C20H32O3
- InChI Key
- NNDIXBJHNLFJJP-DTLRTWKJSA-N
- InChI
- InChI=1S/C20H32O3/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(22)23/h1,3-4,6-7,9-10,12,21H,2,5,8,11,13-19H2,(H,22,23)/b3-1-,6-4-,9-7-,12-10-
- IUPAC Name
- (5Z,8Z,11Z,14Z)-20-hydroxyicosa-5,8,11,14-tetraenoic acid
- SMILES
- [H]OC(=O)C([H])([H])C([H])([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])=C([H])C([H])([H])C(\[H])=C(\[H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])C([H])([H])O
- Reactions
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 212.6384341 predictedDarkChem Lite v0.1.0 [M-H]- 191.32845 predictedDeepCCS 1.0 (2019) [M+H]+ 210.0613341 predictedDarkChem Lite v0.1.0 [M+H]+ 193.68645 predictedDeepCCS 1.0 (2019) [M+Na]+ 211.4472341 predictedDarkChem Lite v0.1.0 [M+Na]+ 199.77959 predictedDeepCCS 1.0 (2019) - External Links
- Human Metabolome Database
- HMDB0005998
- KEGG Compound
- C14748
- ChemSpider
- 4446281
- ChEBI
- 34306
- ChEMBL
- CHEMBL4085458
- ZINC
- ZINC000004655386
- Wikipedia
- 20-Hydroxyeicosatetraenoic_acid
- Predicted Properties
Property Value Source Water Solubility 0.00119 mg/mL ALOGPS logP 5.87 ALOGPS logP 5.15 Chemaxon logS -5.4 ALOGPS pKa (Strongest Acidic) 4.82 Chemaxon pKa (Strongest Basic) -2 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 3 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 57.53 Å2 Chemaxon Rotatable Bond Count 15 Chemaxon Refractivity 101.88 m3·mol-1 Chemaxon Polarizability 38.44 Å3 Chemaxon Number of Rings 0 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule No Chemaxon