Record Information
Version1.0
Creation date2015-10-09 22:32:28 UTC
Update date2017-01-19 02:36:34 UTC
FoodComEx IDPC000746
FoodDB RecordFDB007128
Chemical Information
NameOctacosanoic acid
DescriptionOctacosanoic acid is a very-long-chain fatty acid found in human brain and visceral organs (PMID: 2474624) Octacosanoic acid is a higher aliphatic primary acids purified from sugar-cane (Saccharum officinarum L.) wax that has been shown to inhibit platelet aggregation induced ex vivo by addition of agonists to platelet-rich plasma (PRP) of rats, guinea pigs, and healthy human volunteers. (PMID: 5099499) Octacosanoic acid is formed from octacosanol via beta-oxidation. (PMID: 15847942) [HMDB].
CAS Number506-48-9
Structure
Thumb
Synonyms
SynonymSource
1-OctacosanoateGenerator
1-Octacosanoic acidChEBI
CH3-[CH2]26-COOHChEBI
MontanateHMDB
Montanic acidmanual
N-OctacosanoateGenerator
n-Octacosanoic acidmanual
N-OctaeicosanoateGenerator
N-Octaeicosanoic acidChEBI
OctacosancarbonsaeureChEBI
OctacosanoateHMDB
Octacosanoic acidbiospider
OctacosansaeureChEBI
OctacosoateGenerator
Octacosoic acidChEBI
OctaeicosanoateGenerator
Octaeicosanoic acidmanual
Chemical FormulaC28H56O2
IUPAC nameoctacosanoic acid
InChI IdentifierInChI=1S/C28H56O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28(29)30/h2-27H2,1H3,(H,29,30)
InChI KeyUTOPWMOLSKOLTQ-UHFFFAOYSA-N
Isomeric SMILESCCCCCCCCCCCCCCCCCCCCCCCCCCCC(O)=O
Average Molecular Weight424.743
Monoisotopic Molecular Weight424.428031036
Chemical Taxonomy
Description Belongs to the class of organic compounds known as very long-chain fatty acids. These are fatty acids with an aliphatic tail that contains at least 22 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentVery long-chain fatty acids
Alternative Parents
Substituents
  • Very long-chain fatty acid
  • Straight chain fatty acid
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logPNot Available
Experimental Water SolubilityNot Available
Melting PointNot Available
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity AvailableProduction upon request, up to 200 mg
Delivery TimeNot Available
Storage Formsolid
Storage Conditions-80°C
StabilityNot Available
PurityNot Available
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Rosa Vazquez Fresnovazquezf@ualberta.ca
Commercial Vendors
AKSci 8706AL