Gadoleic Acid
Basic information
- CAS
29204-02-2- Standard SMILES
CCCCCCCCCC/C=C\CCCCCCCC(=O)O- InChIKey
LQJBNNIYVWPHFW-QXMHVHEDSA-N- Molecular formula
- C20H38O2
- Average molar mass
- 310.5 g/mol
- Monoisotopic mass
- 310.28718045
Overview
Gadoleic acid is a 9-icosenoic acid having a cis-double bond at position 9. It has a role as an algal metabolite. It is a conjugate acid of a gadoleate.
Names & identifiers
- Preferred name
- Gadoleic Acid
- IUPAC
- (Z)-icos-9-enoic acid
- English name
- Gadoleicacid
- Molecular formula
- C20H38O2
- Molecular weight
- 310.51
Names & synonyms
Gadoleic acid29204-02-2cis-9-eicosenoic acid9Z-eicosenoic acid(Z)-9-Eicosenoic acid9-Eicosenoic acid, (9Z)-9c-Eicosensaeure9-Eicosenoic acid, (Z)-Eicos-9c-ensaeureeicos-9c-enoic acidGondoleic acid(Z)-eicos-9-enoic acid
Show more names
Z-9-Eicosenoic acid(Z)-9-Icosenoic acidcis-9-Icosenoic acid(Z)-icos-9-enoic acid(9Z)-9-Icosenoic acid9-cis-Eicosenoic acid in isooctane9(Z)-Eicosenoic Acid (Gadoleic Acid)9(Z)-Eicosenoic Acid Methyl Ester
(9Z)-icos-9-enoic acidUNII-474JWU0SQ6cis-Delta(9)-eicosenoic acid474JWU0SQ6C20:1CCHEBI:32419RefChem:36943Fatty Acid 20:1 n-11
Database identifiers
- CAS
29204-02-2- PubChem CID
- 5282767
- DTXSID
DTXSID101045292- ChEBI
CHEBI:32419- UNII
- 474JWU0SQ6
- Nikkaji
- J17.206E
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 17
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 258
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Unsaturated fatty acids [FA0103]
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 24.5 °C · 24.5°C
- Boiling point
- 419.84 °C · 419.84°C (estimate)
- Density
- 0.8882 · 0.8882
- refractive index
- 1.4675 · 1.4675 (estimate)
- storage temp.
- -20 °C · -20°C
- solubility
- Ethanol: soluble
- pka
- 4.78 · 4.78±0.10(Predicted)
- FDA UNII
- 474 JWU0SQ6 · 474JWU0SQ6
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Danger
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS02
Chemistry & industry
Applications
UsesGadoleic acid is a kind of biochemical reagent.
Upstream & downstream products
Downstream products
Additional notes
DefinitionChEBI: Gadoleic acid is an icosenoic acid having a cis- double bond at position 9. It has a role as an algal metabolite. It is a conjugate acid of a gadoleate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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