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Elaidic acid (PC000360)

Record Information
Version1.0
Creation date2015-10-09 22:30:09 UTC
Update date2017-01-19 02:36:20 UTC
FoodComEx IDPC000360
FoodDB RecordFDB002951
Chemical Information
NameElaidic acid
DescriptionMinor constituent of plant oils Elaidic acid is the major trans fat found in hydrogenated vegetable oils and occurs in small amounts in caprine and bovine milk (very roughly 0.1 % of the fatty acids). It is the trans isomer of oleic acid.
CAS Number112-79-8
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
(9E)-9-Octadecenoic acidbiospider
(9e)-OctadecenoateGenerator
(9E)-Octadecenoic acidbiospider
(e)-9-octadecenoic acidbiospider
(e)-OleateGenerator
(E)-Oleic acidmanual
9-OCTADECENOateGenerator
9-OCTADECENOIC ACIDChEBI
9-Octadecenoic acid, (E)-biospider
9-trans-OctadecenoateGenerator
9-trans-octadecenoic acidbiospider
Acide elaidiqueChEBI
D9-trans-OctadecenoateGenerator
D9-trans-Octadecenoic acidChEBI
Elaidatebiospider
Elaidic aciddb_source
ElaidinsaeureChEBI
ElaidinsaureChEBI
trans-9-OctadecenoateGenerator
trans-9-octadecenoic acidbiospider
trans-D9-OctadecenoateGenerator
trans-D9-Octadecenoic acidmanual
trans-delta(9)-OctadecenoateGenerator
trans-Delta(9)-Octadecenoic acidChEBI
trans-ElaidateGenerator
Trans-elaidic acidbiospider
trans-Octadec-9-enoic acidbiospider
trans-OleateGenerator
trans-Oleic acidmanual
trans-δ(9)-octadecenoateGenerator
trans-δ(9)-octadecenoic acidGenerator
Chemical FormulaC18H34O2
IUPAC name(9E)-octadec-9-enoic acid
InChI IdentifierInChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9+
InChI KeyZQPPMHVWECSIRJ-MDZDMXLPSA-N
Isomeric SMILESCCCCCCCC\C=C\CCCCCCCC(O)=O
Average Molecular Weight282.4614
Monoisotopic Molecular Weight282.255880332
Chemical Taxonomy
Description Belongs to the class of organic compounds known as long-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassFatty Acyls
Sub ClassFatty acids and conjugates
Direct ParentLong-chain fatty acids
Alternative Parents
Substituents
  • Long-chain fatty acid
  • Unsaturated 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 PointMp 45-45.5°DFC
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 1749AH
AKSci 6479AF
Cayman Chemical 90250
MetaSci HMDB0000573
Toronto Research Chemicals E500200
Toronto Research Chemicals HMDB0000573