NAV

Gondoic acid

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Gondoic acid
DrugBank Accession Number
DB14073
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
Similar Structures
Weight
Average: 310.5145
Monoisotopic: 310.28718046
Chemical Formula
C20H38O2
Synonyms
  • (11Z)-Eicosenoic acid
  • (11Z)-Icosenoic acid
  • (Z)-eicos-11-enoic acid
  • (Z)-icos-11-enoic acid
  • (Z)-Icosa-11-enoic acid
  • 11-Eicosenoic acid
  • 11-Icosenoic acid
  • cis-11-eicosenoic acid
  • cis-gondoic acid
  • cis-Δ11-eicosenoic acid
  • Eicosenoic acid
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Pharmacology

Indication

Not Available

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Pharmacodynamics

Not Available

Mechanism of action
Not Available
Absorption

Not Available

Volume of distribution

Not Available

Protein binding

Not Available

Metabolism
Not Available
Route of elimination

Not Available

Half-life

Not Available

Clearance

Not Available

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Products

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Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Tricare Prenatal CompleatGondoic acid (33.8 mg/1) + Ascorbic acid (100 mg/1) + Calcium carbonate (200 mg/1) + Cholecalciferol (400 [iU]/1) + Cupric sulfate pentahydrate (2 mg/1) + Cyanocobalamin (12 mg/1) + DL-alpha tocopheryl acetate (30 [iU]/1) + Doconexent (135 mg/1) + Ferrous fumarate (27 mg/1) + Folic acid (1 mg/1) + Nicotinamide (20 mg/1) + Omega-3 fatty acids (71.2 mg/1) + Pyridoxine hydrochloride (3.1 mg/1) + Riboflavin (1.6 mg/1) + Thiamine hydrochloride (1.6 mg/1) + Zinc oxide (10 mg/1)KitOralMedecor Pharma, Llc2013-03-21Not applicableUS flag

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound 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.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Fatty Acyls
Sub Class
Fatty acids and conjugates
Direct Parent
Long-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
Aliphatic acyclic compound / Carbonyl group / Carboxylic acid / Carboxylic acid derivative / Hydrocarbon derivative / Long-chain fatty acid / Monocarboxylic acid or derivatives / Organic oxide / Organic oxygen compound / Organooxygen compound
Molecular Framework
Aliphatic acyclic compounds
External Descriptors
icosenoic acid (CHEBI:32425) / Unsaturated fatty acids, Monounsaturated fatty acids (C16526) / Unsaturated fatty acids (LMFA01030085)
Affected organisms
Not Available

Chemical Identifiers

UNII
UDX6WPL94T
CAS number
5561-99-9
InChI Key
BITHHVVYSMSWAG-KTKRTIGZSA-N
InChI
InChI=1S/C20H38O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22/h9-10H,2-8,11-19H2,1H3,(H,21,22)/b10-9-
IUPAC Name
(11Z)-icos-11-enoic acid
SMILES
CCCCCCCC\C=C/CCCCCCCCCC(O)=O

References

General References
Not Available
Human Metabolome Database
HMDB0002231
KEGG Compound
C16526
ChemSpider
4445895
RxNav
1374399
ChEBI
32425
ZINC
ZINC000006920439
Wikipedia
11-Eicosenoic_acid

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
KitOral
Prices
Not Available
Patents
Not Available

Properties

State
Solid
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility4.95e-05 mg/mLALOGPS
logP8.4ALOGPS
logP7.67Chemaxon
logS-6.8ALOGPS
pKa (Strongest Acidic)4.95Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count2Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area37.3 Å2Chemaxon
Rotatable Bond Count17Chemaxon
Refractivity96.6 m3·mol-1Chemaxon
Polarizability41.32 Å3Chemaxon
Number of Rings0Chemaxon
Bioavailability0Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted GC-MS Spectrum - GC-MSPredicted GC-MSsplash10-0006-9450000000-350fb3d4ba5a967ba8b5
GC-MS Spectrum - GC-EI-TOFGC-MSsplash10-00mk-3900000000-c719ddc966597d00d2c5
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-01r6-9473000000-c3ed503c1156fa5f1d5a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-0009000000-147957d48b07b81b3869
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-1029000000-de4ae9b5e7d4307f0e2e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4l-9640000000-ba3cb397defa2c4bd38c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0006-9340000000-34917d3391ac7acf4b33
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0537-9200000000-23cec272bd5afb71a151
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-220.2790059
predicted
DarkChem Lite v0.1.0
[M-H]-220.4902059
predicted
DarkChem Lite v0.1.0
[M-H]-220.3477059
predicted
DarkChem Lite v0.1.0
[M-H]-183.76332
predicted
DeepCCS 1.0 (2019)
[M+H]+187.783
predicted
DeepCCS 1.0 (2019)
[M+Na]+196.5981
predicted
DeepCCS 1.0 (2019)

Drug created at June 16, 2018 23:08 / Updated at June 12, 2020 16:53