Toggle Navigation
ChemFOnt
Browse
Browse Chemicals
Browse Ontology
Search
Advanced Search
ChemQuery Structure Search
Text Query
Functional Ontology
Overview
Guide to ChemFOnt Subsets
Contributing to ChemFOnt
Downloads
About
ChemFOnt Project
Statistics
Introduction/Help
Licensing Details
FAIR Compliance
API Information
Wishart Research Group
Contact Us
Search
Showing chemical card for 11-Dodecenoic acid (CFc000013405)
Record Information
Version
1.0
Creation Date
2022-08-28 10:25:12 UTC
Update Date
2022-09-13 19:01:46 UTC
Chemfont ID
CFc000013405
Molecule Identification
Common Name
11-Dodecenoic acid
Definition
11-Dodecenoic acid is used as a food additive [EAFUS] ("EAFUS: Everything Added to Food in the United States. [http://www.eafus.com/]")
Structure
MOL
SDF
PDB
SMILES
InChI
×
MOL for CFc000013405 (11-Dodecenoic acid)
×
3D MOL for CFc000013405 (11-Dodecenoic acid)
×
3D SDF for CFc000013405 (11-Dodecenoic acid)
×
3D-SDF for CFc000013405 (11-Dodecenoic acid)
×
PDB for CFc000013405 (11-Dodecenoic acid)
×
3D PDB for CFc000013405 (11-Dodecenoic acid)
×
SMILES for CFc000013405 (11-Dodecenoic acid)
OC(=O)CCCCCCCCCC=C
×
INCHI for CFc000013405 (11-Dodecenoic acid)
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2H,1,3-11H2,(H,13,14)
×
Structure for CFc000013405 (11-Dodecenoic acid)
×
3D Structure for CFc000013405 (11-Dodecenoic acid)
Synonyms
Value
Source
11-Lauroleic acid
ChEBI
11-Lauroleate
Generator
11-Dodecenoate
Generator
Dodecenoic acid
HMDB
11-Dodecenoic acid
ChEBI
Chemical Formula
C
12
H
22
O
2
Average Molecular Weight
198.3019
Monoisotopic Molecular Weight
198.161979948
IUPAC Name
dodec-11-enoic acid
Traditional Name
11-dodecenoic acid
CAS Registry Number
65423-25-8
SMILES
OC(=O)CCCCCCCCCC=C
InChI Identifier
InChI=1S/C12H22O2/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2H,1,3-11H2,(H,13,14)
InChI Key
GZZPOFFXKUVNSW-UHFFFAOYSA-N
Chemical Taxonomy
Description
Belongs to the class of organic compounds known as medium-chain fatty acids. These are fatty acids with an aliphatic tail that contains between 4 and 12 carbon atoms.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Fatty Acyls
Sub Class
Fatty acids and conjugates
Direct Parent
Medium-chain fatty acids
Alternative Parents
Unsaturated fatty acids
Straight chain fatty acids
Monocarboxylic acids and derivatives
Carboxylic acids
Organic oxides
Hydrocarbon derivatives
Carbonyl compounds
Substituents
Medium-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 Framework
Aliphatic acyclic compounds
External Descriptors
dodecenoic acid (
CHEBI:38381
)
Unsaturated fatty acids (
LMFA01030043
)
Functional Ontology
Physiological effect
Organoleptic effect
Odor
Fatty
Citrus
Disposition
Biological location
Cellular substructure
Membrane
(HMDB:
HMDB0032248
)
Extracellular
(HMDB:
HMDB0032248
)
Cytoplasm
(HMDB:
HMDB0032248
)
Cell membrane
(HMDB:
HMDB0032248
)
Organelle
Adiposome
(HMDB:
HMDB0032248
)
Excreta
Biofluid or Excreta
Urine
(HMDB:
HMDB0032248
)
Route of exposure
Enteral
Ingestion
(HMDB:
HMDB0032248
)
Source
Endogenous
Endogenous
(HMDB:
HMDB0032248
)
Animal
Animal
(HMDB:
HMDB0032248
)
Exogenous
Food
Food
(HMDB:
HMDB0032248
)
Animal origin
Poultry
Pheasant
(FooDB:
FOOD00430
)
Squab
(FooDB:
FOOD00481
)
Turkey
(FooDB:
FOOD00494
)
Quail
(FooDB:
FOOD00541
)
Anatidae
(FooDB:
FOOD00576
)
Rock ptarmigan
(FooDB:
FOOD00597
)
Columbidae (Dove, Pigeon)
(FooDB:
FOOD00610
)
Chicken
(FooDB:
FOOD00329
)
Mallard duck
(FooDB:
FOOD00353
)
Emu
(FooDB:
FOOD00360
)
Greylag goose
(FooDB:
FOOD00368
)
Guinea hen
(FooDB:
FOOD00373
)
Ostrich
(FooDB:
FOOD00422
)
Velvet duck
(FooDB:
FOOD00427
)
Lagomorph
European rabbit
(FooDB:
FOOD00442
)
Rabbit
(FooDB:
FOOD00528
)
Mountain hare
(FooDB:
FOOD00581
)
Ovis
Sheep (Mutton, Lamb)
(FooDB:
FOOD00473
)
Bovine
Cattle (Beef, Veal)
(FooDB:
FOOD00495
)
Beefalo
(FooDB:
FOOD00530
)
Bison
(FooDB:
FOOD00301
)
Buffalo
(FooDB:
FOOD00312
)
Venison
Deer
(FooDB:
FOOD00524
)
Mule deer
(FooDB:
FOOD00348
)
Elk
(FooDB:
FOOD00359
)
Caprae
Domestic goat
(FooDB:
FOOD00529
)
Swine
Domestic pig
(FooDB:
FOOD00536
)
Wild boar
(FooDB:
FOOD00307
)
Equine
Horse
(FooDB:
FOOD00378
)
Milk and milk product
Unfermented milk
Milk (Cow)
(FooDB:
FOOD00618
)
Exogenous
(HMDB:
HMDB0032248
)
Show more...
Process
Naturally occurring process
Biological process
Chemical reaction
Lipid Peroxidation
(HMDB:
HMDB0032248
)
Biochemical pathway
Metabolic pathway
Fatty Acid Metabolism
(HMDB:
HMDB0032248
)
Lipid metabolism pathway
(HMDB:
HMDB0032248
)
Cellular process
Cell signaling
(HMDB:
HMDB0032248
)
Biochemical process
Lipid transport
(HMDB:
HMDB0032248
)
Role
Biological role
Energy source
(HMDB:
HMDB0032248
)
Industrial application
Manufacturing industry
Material processing agent
Fluid processing agent
Surfactant
Surfactant
(HMDB:
HMDB0032248
)
Physical Properties
Predicted Properties
Property
Value
Source
Water Solubility
0.0082 g/L
ALOGPS
logP
4.37
ALOGPS
logP
4.17
ChemAxon
logS
-4.4
ALOGPS
pKa (Strongest Acidic)
4.95
ChemAxon
Physiological Charge
-1
ChemAxon
Hydrogen Acceptor Count
2
ChemAxon
Hydrogen Donor Count
1
ChemAxon
Polar Surface Area
37.3 Ų
ChemAxon
Rotatable Bond Count
10
ChemAxon
Refractivity
58.72 m³·mol⁻¹
ChemAxon
Polarizability
24.88 ų
ChemAxon
Number of Rings
0
ChemAxon
Bioavailability
Yes
ChemAxon
Rule of Five
Yes
ChemAxon
Ghose Filter
Yes
ChemAxon
Veber's Rule
Yes
ChemAxon
MDDR-like Rule
No
ChemAxon
External Links
HMDB ID
HMDB0032248
DrugBank ID
Not Available
Phenol Explorer Compound ID
Not Available
FooDB ID
FDB009340
KNApSAcK ID
Not Available
Chemspider ID
111443
KEGG Compound ID
Not Available
BioCyc ID
Not Available
BiGG ID
Not Available
Wikipedia Link
Not Available
METLIN ID
Not Available
PubChem Compound
125207
PDB ID
Not Available
ChEBI ID
38381
Food Biomarker Ontology
Not Available
References
Synthesis Reference
Not Available
