Basic information
- CAS
88053-46-7- Standard SMILES
CCCCCCCCC=CCC=CC=CC(O)CCCC(=O)O- InChIKey
LSADDRSUZRRBAN-UHFFFAOYSA-N- Molecular formula
- C20H34O3
- Average molar mass
- 322.5 g/mol
- Monoisotopic mass
- 322.25079494
Names & identifiers
- Preferred name
- 5-Hydroxyicosa-6,8,11-trienoic acid
- IUPAC
- 5-hydroxyicosa-6,8,11-trienoic acid
- English name
- (+/-)5-HETRE
- Molecular formula
- C20H34O3
- Molecular weight
- 322.48
Names & synonyms
5-hydroxyicosa-6,8,11-trienoic acid88053-46-7Bio1_001033CBiol_001769DTXSID10274331Bio1_000055Bio1_000544PD050387(+/-)5-HETRE(+/-)5-HYDROXYEICOSA-6E,8Z,11Z-TRIENOIC ACID
Database identifiers
- CAS
88053-46-7- PubChem CID
- 1768
- DTXSID
DTXSID10274331
Properties
Computed structural properties
- XLogP
- 5.9
- 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
- 356
Chemistry & industry
Suppliers5 total
BIOMOL[email protected]
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
Biomol Feinchemikalien GmbH[email protected]
3B Scientific Corporation[email protected]
Additional notes
DefinitionChEBI: 5-HETrE is a hydroxyeicosatrienoic acid that consists of 6E,8Z,11Z-eicosatrienoic acid bearing a 5-hydroxy substituent. It has a role as a metabolite. It is functionally related to a (5Z,8Z,11Z)-icosatrienoic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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