Basic information
- CAS
79551-86-3- Standard SMILES
O=C(O)CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCO- InChIKey
NNDIXBJHNLFJJP-DTLRTWKJSA-N- Molecular formula
- C20H32O3
- Average molar mass
- 320.5 g/mol
- Monoisotopic mass
- 320.23514488
Names & identifiers
- Preferred name
- 20-Hydroxyeicosatetraenoic acid
- IUPAC
- (5Z,8Z,11Z,14Z)-20-hydroxyicosa-5,8,11,14-tetraenoic acid
- English name
- 20-HETE
- Molecular formula
- C20H32O3
- Molecular weight
- 320.47
Names & synonyms
20-Hete79551-86-320-Hydroxyeicosatetraenoic acid20-Hydroxy arachidonic acid(5Z,8Z,11Z,14Z)-20-Hydroxyicosa-5,8,11,14-tetraenoic acid20-Hydroxyicosatetraenoic acid20-hydroxy-5,8,11,14-eicosatetraenoic acid20-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acidDTXSID601009895CHEBI:34306RefChem:89565DTXCID801436327
Show more names
20-Hydroxyarachlidonic acid20-HETE - 0.01%, in ethanolomega-Hydroxyarachidonic acid20-HETE Lipid Maps MS Standard20-hydroxy-5(Z),8(Z),11(Z),14(Z)-ETA20-HETE, 20-Hydroxyarachidonic acid
20-Hydroxyarachidonic acid20-Hydroxyeicosatetraeonic acid20-Hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoic acid20-HETE (>80%)20-Hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate(5Z,8Z,11Z,14Z)-20-Hydroxyicosa-5,8,11,14-tetraenoate20-HydroxyicosatetraenoateSCHEMBL505713
Database identifiers
- CAS
79551-86-3- PubChem CID
- 5283157
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 15
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 378
Experimental & physicochemical properties
Physical DescriptionSolid
Collision Cross Section184.2 Ų [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Calculation: Single Field; Dataset: Oxylipins]
Physicochemical properties
- Boiling point
- 482 · 482.0±33.0 °C(Predicted)
- Density
- 0.985 · 0.985±0.06 g/cm3(Predicted)
- Flash point
- 14 ℃ · 14℃
- storage temp.
- -20 °C · -20°C
- solubility
- 0.1 M · 0.1 M Na2CO3: 2 mg/ml; DMF: Miscible; DMSO: Miscible; Ethanol: Miscible; PBS pH 7.2: 0.8 mg/ml
- pka
- 4.75 · 4.75±0.10(Predicted)
- form
- Powder
- 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-
- InChIKey
- NNDIXBJHNLFJJP-DTLRTWKJSA-N
- SMILES
Safety & regulation
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- ridadr
- UN 1170 3/PG 2
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi
- safety_code
- 16-26-36
- Storage Class
- 3 - Flammable liquids
- Hazard statements
- H225-H319
- Hazard Classifications
- Eye Irrit. 2Flam. Liq. 2
- Precautionary statements
- P210-P305+P351+P338
Chemistry & industry
Pharmacology
Metabolism/Metabolites20-HETE is a known human metabolite of arachidonic acid.
Cellular LocationsExtracellular；Membrane
Metabolite Pathways
Acetaminophen Action Pathway；Acetylsalicylic Acid Action Pathway；Antipyrine Action Pathway；Antrafenine Action Pathway；Arachidonic Acid Metabolism；Bromfenac Action Pathway；Carprofen Action Pathway；Celecoxib Action Pathway；Diclofenac Action Pathway；Diflunisal Action Pathway；Total 41 pathways, visit the HMDB page for details
Applications
Uses20-HETE is a cytochrome P450 (CYP450) metabolite that may play an autacoid role in cerebral and renal vasculature.
Suppliers48 total
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
南通飞宇生物科技有限公司0513-68819626 15152877458 · [email protected]
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
武汉英诺医药科技有限公司+86-027-59232304 15387063101 · [email protected]
上海金试生化科技有限公司18601717983 18601717983 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
北京炎礼生物科技有限公司18600731423 · [email protected]
Related reactions
5 records
Compound notes
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