4,7,10,13,16-Docosapentaenoic acid
Basic information
- CAS
2313-14-6- Standard SMILES
CCCCC/C=C/C/C=C/C/C=C/C/C=C/C/C=C/CCC(=O)O- InChIKey
AVKOENOBFIYBSA-GUTOPQIJSA-N- Molecular formula
- C22H34O2
- Average molar mass
- 330.5 g/mol
- Monoisotopic mass
- 330.25588032
Overview
4,7,10,13,16-Docosapentaenoic acid is a very long-chain fatty acid.
Names & identifiers
- Preferred name
- 4,7,10,13,16-Docosapentaenoic acid
- IUPAC
- (4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoic acid
- English name
- (4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoic acid
- Molecular formula
- C22H34O2
- Molecular weight
- 330.5
Names & synonyms
4,7,10,13,16-Docosapentaenoic acid2313-14-6Docosa-4,7,10,13,16-pentaenoic acidRefChem:96696(4E,7E,10E,13E,16E)-docosa-4,7,10,13,16-pentaenoic acidLMFA01030182SCHEMBL278617CHEBI:165466DTXSID201354614AKOS040732309DB-214899HY-126355
Show more names
4,7,10,13,16-Docosapentaenoic acid (all-cis)4,7,10,13,16-Docosapentaenoic acid (Standard)4-7-10-13-16 Docosapentaenoic acid (n-6 DPA N6 N3 OMEGA)4,7,10,13,16-Docosapentaenoic acid (all-cis) in isooctane
CS-0102939T10134
Database identifiers
- CAS
2313-14-6- PubChem CID
- 5282848
- DTXSID
DTXSID201354614- ChEBI
CHEBI:165466- Nikkaji
- J552.289G、J794.493D
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 425
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Physicochemical properties
- Boiling point
- 443.8 · 443.8±24.0 °C(Predicted)
- Density
- 0.932 · 0.932±0.06 g/cm3(Predicted)
- pka
- 4.65 · 4.65±0.10(Predicted)
Chemistry & industry
Applications
Uses4,7,10,13,16-Docosapentaenoic acid is an endogenous metabolite.
Additional notes
DefinitionChEBI: 4,7,10,13,16-Docosapentaenoic acid is a very long-chain fatty acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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