ContaminantDB: 9-Octadecenamide, (9Z)-

Identification Taxonomy Biological Properties Physical Properties Toxicity Profile Spectra Concentrations Links References XML

Record Information

Version

1.0

Creation Date

2016-05-19 03:42:32 UTC

Update Date

2016-11-09 01:14:25 UTC

Accession Number

CHEM011652

Identification

Common Name

9-Octadecenamide, (9Z)-

Class

Small Molecule

Description

Contaminant Sources

FooDB Chemicals
HPV EPA Chemicals
STOFF IDENT Compounds
ToxCast & Tox21 Chemicals

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(9Z)-9-Octadecenamide	ChEBI
(9Z)-Octadecenamide	ChEBI
(Z)-9-Octadecenamide	ChEBI
(Z)-Octadec-9-enoic acid amide	ChEBI
9-Octadecenamide	ChEBI
9Z-Octadecenamide	ChEBI
cis-9,10-Octadecenoamide	ChEBI
Oleic acid amide	ChEBI
Oleyl amide	ChEBI
Oleylamide	ChEBI
(Z)-Octadec-9-enoate amide	Generator
Oleate amide	Generator
(9Z)-Octadec-9-enamide	HMDB
(cis)-9-Octadecenoate	HMDB
(cis)-9-Octadecenoic acid	HMDB
(cis)-9-Octadecenoic acid amide	HMDB
14C-Labeled oleamide	HMDB
9,10-Octadecenamide	HMDB
Adogen 73	HMDB
Aliphatic amide	HMDB
Amide O	HMDB
Armid O	HMDB
Armoslip CP	HMDB
Crodamide O	HMDB
Crodamide or	HMDB
Diamide O 200	HMDB
Diamit O 200	HMDB
Elaidoylamide	HMDB
ELD	HMDB
Kemamide O	HMDB
Octadecene amide	HMDB
Petrac slip-eze	HMDB
Polydis TR 121	HMDB
Slip-eze	HMDB
Tocris-0878	HMDB
trans-9,10-Octadecenoamide	HMDB
Unislip 1759	HMDB
Oleylamide, (e)-isomer	HMDB

Chemical Formula

C₁₈H₃₅NO

Average Molecular Mass

281.477 g/mol

Monoisotopic Mass

281.272 g/mol

CAS Registry Number

301-02-0

IUPAC Name

(9Z)-octadec-9-enamide

Traditional Name

oleamide

SMILES

CCCCCCCC\C=C/CCCCCCCC(N)=O

InChI Identifier

InChI=1S/C18H35NO/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,(H2,19,20)/b10-9-

InChI Key

FATBGEAMYMYZAF-KTKRTIGZSA-N

Chemical Taxonomy

Description

belongs to the class of organic compounds known as fatty amides. These are carboxylic acid amide derivatives of fatty acids, that are formed from a fatty acid and an amine.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Fatty Acyls

Sub Class

Fatty amides

Direct Parent

Fatty amides

Alternative Parents

Substituents

Fatty amide
Primary carboxylic acid amide
Carboxamide group
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Carbonyl group
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

fatty amide (CHEBI:116314 )
Primary amides (LMFA08010004 )

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Pathways

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Property	Value	Source
Water Solubility	7.3e-05 g/L	ALOGPS
logP	7.19	ALOGPS
logP	5.98	ChemAxon
logS	-6.6	ALOGPS
pKa (Strongest Acidic)	16.92	ChemAxon
pKa (Strongest Basic)	-0.58	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	43.09 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	89.22 m³·mol⁻¹	ChemAxon
Polarizability	37.44 Å³	ChemAxon
Number of Rings	0	ChemAxon
Bioavailability	0	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

Spectra

Spectrum Type	Description	Splash Key	View
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0a4i-9000000000-82979114d02d916c656e	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0a4i-9000000000-97b84b2740298afd1c1d	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0a4i-9000000000-82979114d02d916c656e	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0a4i-9000000000-97b84b2740298afd1c1d	Spectrum
GC-MS	GC-MS Spectrum - EI-B (Non-derivatized)	splash10-0ab9-9100000000-b569e50a84dfd9fefa0f	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	splash10-0006-9520000000-b12545c4825e006705c9	Spectrum
Predicted GC-MS	Predicted GC-MS Spectrum - GC-MS (Non-derivatized) - 70eV, Positive	Not Available	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-0090000000-4025e9686e453cf9ff58	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-02ti-3590000000-ef97bfeb80e7c1b3032d	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0006-8910000000-4bbc3e60f25393fa6845	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-0090000000-07efc552c89b48048777	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-001l-4090000000-f222c515266d20e324ec	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9000000000-e9a8f8874e104368c2af	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Positive	splash10-001i-2190000000-cd304288348f2876b0a1	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Positive	splash10-05o0-9560000000-8ef134115ce9c4c4128f	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Positive	splash10-0apl-9000000000-e79597693046f1001f64	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 10V, Negative	splash10-001i-0090000000-7ab213c3091ac38bdcb8	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 20V, Negative	splash10-0006-9030000000-bf88d7f0f037292d8045	Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum - 40V, Negative	splash10-0006-9000000000-90726b17dc36e29c5299	Spectrum