CETOLEIC ACID

Details

Stereochemistry	ACHIRAL
Molecular Formula	C22H42O2
Molecular Weight	338.5677
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCCCCCCC\C=C/CCCCCCCCCC(O)=O

InChI

InChIKey=KJDZDTDNIULJBE-QXMHVHEDSA-N

InChI=1S/C22H42O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h11-12H,2-10,13-21H2,1H3,(H,23,24)/b12-11-

HIDE SMILES / InChI

Molecular Formula	C22H42O2
Molecular Weight	338.5677
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Fat intake and composition of fatty acids in serum phospholipids in a randomized, controlled, Mediterranean dietary intervention study on patients with rheumatoid arthritis.	2005 Oct 10	16216119

Substance Class	Chemical Created by `admin` on `Sat Dec 16 08:41:24 GMT 2023` Edited by `admin` on `Sat Dec 16 08:41:24 GMT 2023`
Record UNII	62EZI2C5SE
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

CETOLEIC ACID

Common Name

English

11-DOCOSENOIC ACID, CIS-

Systematic Name

English

22:1(N-11)

Code

English

11-DOCOSENOIC ACID, (Z)-

Common Name

English

11Z-DOCOSENOIC ACID

Common Name

English

J12.483D

Code

English

CETOLIC ACID

Common Name

English

CIS-DOCOS-11-ENOIC ACID

Systematic Name

English

(Z)-11-DOCOSENOIC ACID

Systematic Name

English

22:1, N-11 CIS

Common Name

English

(11Z)-11-DOCOSENOIC ACID

Systematic Name

English

Classification Tree Code System Code

NCI_THESAURUS

C68352

Created by admin on Sat Dec 16 08:41:24 GMT 2023 , Edited by admin on Sat Dec 16 08:41:24 GMT 2023

Code System Code Type Description

EPA CompTox

DTXSID00920491

Created by admin on Sat Dec 16 08:41:24 GMT 2023 , Edited by admin on Sat Dec 16 08:41:24 GMT 2023

PRIMARY

PUBCHEM

5282771

Created by admin on Sat Dec 16 08:41:24 GMT 2023 , Edited by admin on Sat Dec 16 08:41:24 GMT 2023

PRIMARY

NCI_THESAURUS

C68333

Created by admin on Sat Dec 16 08:41:24 GMT 2023 , Edited by admin on Sat Dec 16 08:41:24 GMT 2023

PRIMARY

NCIT

FDA UNII

62EZI2C5SE

Created by admin on Sat Dec 16 08:41:24 GMT 2023 , Edited by admin on Sat Dec 16 08:41:24 GMT 2023

PRIMARY

CHEBI

32428

Created by admin on Sat Dec 16 08:41:24 GMT 2023 , Edited by admin on Sat Dec 16 08:41:24 GMT 2023

PRIMARY

CAS

1002-96-6

Created by admin on Sat Dec 16 08:41:24 GMT 2023 , Edited by admin on Sat Dec 16 08:41:24 GMT 2023

PRIMARY

Related Record Type Details


					M7G42W018K

BOGUE

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

mg/100g edible portion in 20 Mediterranean fish samples

Interaction Type:

ASSAY (GC)

Qualification:

Batch Data

Amount:


					Q5GB2B40HK

EUROPEAN HAKE

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

mg/100g edible portion in Mediterranean fish samples

Interaction Type:

ASSAY (GC)

Qualification:

Batch Data

Amount:


					3W1JG795YI

SUNFLOWER OIL

LIPID -> FATTY ACID


					NO56N20F4U

BROOK TROUT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

mg/100g edible portion in 20 Mediterranean fish samples

Interaction Type:

ASSAY (GC)

Qualification:

Batch Data

Amount:


					P4M52SZ8L6

RAINBOW TROUT

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

mg/100g edible portion in Mediterranean fish samples

Interaction Type:

ASSAY (GC)

Qualification:

Batch Data

Amount:


					5V88961E7H

MEAGRE

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

mg/100g edible portion in Mediterranean fish samples

Interaction Type:

ASSAY (GC)

Qualification:

Batch Data

Amount:


					81EM7K2BMZ

TURBOT, UNSPECIFIED

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

mg/100g edible portion in 20 Mediterranean fish samples

Interaction Type:

ASSAY (GC)

Qualification:

Batch Data

Amount:


					N3614R2622

TENCH

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

mg/100g edible portion in 20 Mediterranean fish samples

Interaction Type:

ASSAY (GC)

Qualification:

Batch Data

Amount:


					QE2LI5T15D

EUROPEAN SEA BASS

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

mg/100g edible portion in Mediterranean fish samples

Interaction Type:

ASSAY (GC)

Qualification:

Batch Data

Amount:


					BBL281NWFG

COD LIVER OIL

PARENT -> CONSTITUENT ALWAYS PRESENT

Qualification:

USP


					I0M92K792H

GILTHEAD SEABREAM

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

mg/100g edible portion in Mediterranean fish samples

Interaction Type:

ASSAY (GC)

Qualification:

Batch Data

Amount:


					P927YM86GL

EUROPEAN DOVER SOLE

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

mg/100g edible portion in 20 Mediterranean fish samples

Interaction Type:

ASSAY (GC)

Qualification:

Batch Data

Amount:


					4753L974I6

ATLANTIC HERRING

PARENT -> CONSTITUENT ALWAYS PRESENT

Comments:

w/w % of total fatty acids

Interaction Type:

ASSAY (GC)

Qualification:

Batch Data

Amount: