Nonacosanoic acid
Basic information
- CAS
4250-38-8- Standard SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O- InChIKey
IHEJEKZAKSNRLY-UHFFFAOYSA-N- Molecular formula
- C29H58O2
- Average molar mass
- 438.8 g/mol
- Monoisotopic mass
- 438.44368109
Overview
Nonacosanoic acid is a very long-chain fatty acid comprising of 29 carbon atoms. It has a role as a plant metabolite. It is a prostaglandin A1 and a straight-chain saturated fatty acid.
Names & identifiers
- Preferred name
- Nonacosanoic acid
- IUPAC
- nonacosanoic acid
- English name
- Nonacosanoic acid
- Molecular formula
- C29H58O2
- Molecular weight
- 438.77
Names & synonyms
NONACOSANOIC ACID4250-38-8n-Nonacosanoic acidPD7M4BT88JCHEBI:84867DTXSID60195284RefChem:1092494DTXCID70117775224-210-9NONACOSANOICACIDnonacosylic acidMFCD00057830
Show more names
NonacosanoicAcid>n-nonacosanoic acid
nonacosanoateFA 29:0C29:0UNII-PD7M4BT88Jmotanic acidn-NonacosanoateEnneacosanoicacidEINECS 224-210-9
Database identifiers
- CAS
4250-38-8- PubChem CID
- 20245
- DTXSID
DTXSID60195284- ChEBI
CHEBI:84867- UNII
- PD7M4BT88J
- EC Number
- 224-210-9
- Nikkaji
- J97.996A
Properties
Computed structural properties
- XLogP
- 13.4
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 27
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 340
Experimental & physicochemical properties
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Straight chain fatty acids [FA0101]
Physical DescriptionSolid
Physicochemical properties
- Melting point
- 69 °C · 69°C
- Boiling point
- 436 · 436.0±8.0 °C(Predicted)
- Density
- 0.874 · 0.874±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- solubility
- within almost transparency in hot Toluene
- form
- powder to crystal
- pka
- 4.78 · 4.78±0.10(Predicted)
- color
- White to Almost white
- FDA UNII
- 7 M4BT88J · PD7M4BT88J
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 26 · 26-36
- WGK Germany
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
- wgk
- 3
- hs_code
- 2915.90.1800
- risk_code
- 36/37/38
- safety_code
- 26-36
Chemistry & industry
Pharmacology
Cellular LocationsExtracellular
Metabolite PathwaysAcylcarnitine Nonacosanoylcarnitine
Applications
UsesNonacosanoic Acid (cas# 4250-38-8) is a useful analytical reagent for studying soil fatty acids.
Additional notes
DefinitionChEBI: A very long-chain fatty acid comprising of 29 carbon atoms.
Related reactions
2 records
Compound notes
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