U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula 2C18H31O2.Ca
Molecular Weight 598.953
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 4
Charge 0

SHOW SMILES / InChI
Structure of CALCIUM LINOLEATE

SMILES

[Ca++].CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O.CCCCC\C=C/C\C=C/CCCCCCCC([O-])=O

InChI

InChIKey=ROZZMLUWBPPEMU-GRVYQHKQSA-L
InChI=1S/2C18H32O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*6-7,9-10H,2-5,8,11-17H2,1H3,(H,19,20);/q;;+2/p-2/b2*7-6-,10-9-;

HIDE SMILES / InChI

Molecular Formula C18H31O2
Molecular Weight 279.4375
Charge -1
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 2
Optical Activity NONE

Molecular Formula Ca
Molecular Weight 40.078
Charge 2
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Fri Dec 15 18:51:31 UTC 2023
Edited
by admin
on Fri Dec 15 18:51:31 UTC 2023
Record UNII
WA24QBU66J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
CALCIUM LINOLEATE
JAN  
Systematic Name English
CALCIUM DILINOLEATE
Systematic Name English
9,12-OCTADECADIENOIC ACID (9Z,12Z)-, CALCIUM SALT (2:1)
Common Name English
9,12-OCTADECADIENOIC ACID (9Z,12Z)-, CALCIUM SALT
Common Name English
9,12-OCTADECADIENOIC ACID (Z,Z)-, CALCIUM SALT
Common Name English
LINOLEIC ACID, CALCIUM SALT
Common Name English
LINOCALCIUM
Common Name English
CALCIUM LINOLEATE [JAN]
Common Name English
Code System Code Type Description
CAS
19704-83-7
Created by admin on Fri Dec 15 18:51:31 UTC 2023 , Edited by admin on Fri Dec 15 18:51:31 UTC 2023
PRIMARY
EPA CompTox
DTXSID201015454
Created by admin on Fri Dec 15 18:51:31 UTC 2023 , Edited by admin on Fri Dec 15 18:51:31 UTC 2023
PRIMARY
FDA UNII
WA24QBU66J
Created by admin on Fri Dec 15 18:51:31 UTC 2023 , Edited by admin on Fri Dec 15 18:51:31 UTC 2023
PRIMARY
ECHA (EC/EINECS)
243-241-9
Created by admin on Fri Dec 15 18:51:31 UTC 2023 , Edited by admin on Fri Dec 15 18:51:31 UTC 2023
PRIMARY
PUBCHEM
9851630
Created by admin on Fri Dec 15 18:51:31 UTC 2023 , Edited by admin on Fri Dec 15 18:51:31 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE