Elaidolinolenic acid
Basic information
- CAS
1955-33-5- Standard SMILES
CC/C=C/C/C=C/C/C=C/CCCCCCCC(=O)O- InChIKey
DTOSIQBPPRVQHS-IUQGRGSQSA-N- Molecular formula
- C18H30O2
- Average molar mass
- 278.4 g/mol
- Monoisotopic mass
- 278.2245802
Overview
Elaidolinolenic acid is an octadecatrienoic acid.
Names & identifiers
- Preferred name
- Elaidolinolenic acid
- IUPAC
- (9E,12E,15E)-octadeca-9,12,15-trienoic acid
- English name
- (9E,12E,15E)-Octadeca-9,12,15-trienoic acid
- Molecular formula
- C18H30O2
- Molecular weight
- 278.43
Names & synonyms
Elaidolinolenic acidlinolenelaidic acid28290-79-1UNII-PO45E3L8YUPO45E3L8YU9E,12E,15E-octadecatrienoic acid(9E,12E,15E)-9,12,15-Octadecatrienoic acid(E,E,E)-9,12,15-Octadecatrienoic acid9,12,15-Octadecatrienoic acid, (E,E,E)-C18:3n-3,6,9(ALL TRANS)-9,12,15-OCTADECATRIENOIC ACID9,12,15-Octadecatrienoic acid, (9E,12E,15E)-
Show more names
trans, trans, trans-9,12,15-Octadecatrienoic acid
trans-9, trans-12, trans-15-octadecatrienoic acidRefChem:136442(9E,12E,15E)-octadeca-9,12,15-trienoic acidlinolensaure-linolenic acidEINECS 217-792-0delta9,12,15-Octadecatrienoic acidSCHEMBL46586
Database identifiers
- CAS
1955-33-5、28290-79-1- PubChem CID
- 5282822
- DTXSID
DTXSID401315640- ChEMBL
CHEMBL5288293- ChEBI
CHEBI:165492- UNII
- PO45E3L8YU
- Nikkaji
- J17.685K、J199.777G
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 13
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 301
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
LogP6.46
Melting Point29.5 - 30 °C
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 29 · 29-30 °C
- Boiling point
- 443.4 · 443.4±0.0 °C(Predicted)
- Density
- 0.924 · 0.924±0.06 g/cm3(Predicted)
- storage temp.
- 20 °C · −20°C
- pka
- 4.78 · 4.78±0.10(Predicted)
- FDA UNII
- 45 E3L8YU · PO45E3L8YU
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Additional notes
DefinitionChEBI: Elaidolinolenic acid is an octadecatrienoic acid.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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