ChemFOnt: Showing chemical card for C18:1, n-9 (CFc000336857)

Record Information

Version

1.0

Creation Date

Update Date

2022-09-14 05:30:15 UTC

Chemfont ID

CFc000336857

Molecule Identification

Common Name

C18:1, n-9

Definition

Elaidic acid, also known as trans-9-octadecenoic acid or elaidate, is a member of the class of compounds known as long-chain fatty acids. Long-chain fatty acids are fatty acids with an aliphatic tail that contains between 13 and 21 carbon atoms. Thus, elaidic acid is considered to be a fatty acid lipid molecule. Elaidic acid is practically insoluble (in water) and a weakly acidic compound (based on its pKa). Elaidic acid can be synthesized from trans-octadec-9-ene. Elaidic acid is also a parent compound for other transformation products, including but not limited to, ricinelaidic acid, hexadecyl elaidate, and cystodytin H. Elaidic acid can be found in fats and oils and pomegranate, which makes elaidic acid a potential biomarker for the consumption of these food products. Elaidic acid can be found primarily in blood and feces, as well as in human adipose tissue and fibroblasts tissues. Elaidic acid is the organic compound with the formula CH3(CH2)7CHCH(CH2)7CO2H. Classified as an unsaturated trans fatty acid, it is a colorless oily solid. This compound has attracted attention because it is a major trans fat found in hydrogenated vegetable oils, and trans fats are implicated in heart disease .

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
(9E)-Octadecenoic acid	ChEBI
(e)-Oleic acid	ChEBI
9-OCTADECENOIC ACID	ChEBI
9-trans-Octadecenoic acid	ChEBI
Acide elaidique	ChEBI
D9-trans-Octadecenoic acid	ChEBI
Elaidinsaure	ChEBI
Elaidinsaeure	ChEBI
trans-9-Octadecenoic acid	ChEBI
trans-D9-Octadecenoic acid	ChEBI
trans-Delta(9)-Octadecenoic acid	ChEBI
trans-Elaidic acid	ChEBI
trans-Oleic acid	ChEBI
(9E)-Octadecenoate	Generator
(e)-Oleate	Generator
9-OCTADECENOate	Generator
9-trans-Octadecenoate	Generator
D9-trans-Octadecenoate	Generator
trans-9-Octadecenoate	Generator
trans-D9-Octadecenoate	Generator
trans-delta(9)-Octadecenoate	Generator
trans-Δ(9)-octadecenoate	Generator
trans-Δ(9)-octadecenoic acid	Generator
trans-Elaidate	Generator
trans-Oleate	Generator
Elaidate	Generator
FA(18:1(9E))	HMDB
9-Elaidate	HMDB
18:1 N-9	HMDB
C18:1 N-9	HMDB
Octadec-9-enoic acid	HMDB
Octadec-9-enoate	HMDB
9,10-Octadecenoate	HMDB
9,10-Octadecenoic acid	HMDB
Acid, 9-octadecenoic	HMDB
9 Octadecenoic acid	HMDB
(9E)-9-Octadecenoic acid	HMDB
(e)-9-Octadecenoic acid	HMDB
9-trans-Oleic acid	HMDB
Elaidinic acid	HMDB
delta9-trans-Octadecenoic acid	HMDB
trans-delta9-Octadecenoic acid	HMDB
trans-Δ9-octadecenoic acid	HMDB
Δ9-trans-octadecenoic acid	HMDB
Elaidic acid	KEGG

Chemical Formula

C₁₈H₃₄O₂

Average Molecular Weight

282.4614

Monoisotopic Molecular Weight

282.255880332

IUPAC Name

(9E)-octadec-9-enoic acid

Traditional Name

elaidic acid

CAS Registry Number

112-79-8

SMILES

CCCCCCCC\C=C\CCCCCCCC(O)=O

InChI Identifier

InChI=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 Key

ZQPPMHVWECSIRJ-MDZDMXLPSA-N

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.

Showing chemical card for C18:1, n-9 (CFc000336857)

MOL for CFc000336857 (C18:1, n-9)

3D MOL for CFc000336857 (C18:1, n-9)

3D SDF for CFc000336857 (C18:1, n-9)

3D-SDF for CFc000336857 (C18:1, n-9)

PDB for CFc000336857 (C18:1, n-9)

3D PDB for CFc000336857 (C18:1, n-9)

SMILES for CFc000336857 (C18:1, n-9)

INCHI for CFc000336857 (C18:1, n-9)

Structure for CFc000336857 (C18:1, n-9)

3D Structure for CFc000336857 (C18:1, n-9)