Ferroptosis-centered Drug Response Information

General Information of the Drug (ID: ferrodrug0307)
Name
alpha-Eleostearic acid
Synonyms
alpha-Eleostearic acid; 506-23-0; UNII-934U1Q8QHG; cis-eleostearic acid; 934U1Q8QHG; 9,11,13-Octadecatrienoic acid, (E,Z,E)-; 9Z,11E,13E-octadecatrienoic acid; EINECS 208-029-2; (9Z,11E,13E)-octadeca-9,11,13-trienoic acid; AI3-22367; (9E,11Z,13E)-9,11,13-Octadecatrienoic acid; (9Z,11E,13E)-Octadecatrienoic acid; alpha-ELA; (9Z,11E,13E)-9,11,13-Octadecatrienoic acid; cis-9, trans-11, trans-13-octadecatrienoic acid; 9(Z),11(E),13(E)-Octadecatrienoic acid; 9c,11t,13t-CLnA; c9,t11,t13-CLnA; c9,t11,t13-linolenic acid; 9c11t13t-18:3; C18:3n-5,7,9; 9cis,11trans,13trans-octadecatrienoic acid; (Z,E,E)-octadeca-9,11,13-trienoic acid; 9-cis,11-trans,13-trans-octadecatrienoic acid; Margarolic acid; elaeostearic acid; alpha-ESA; alpha-eleostearinic acid; 9(E),11(Z),13(E)-Octadecatrienoic acid; SCHEMBL38279; .ALPHA.-ELEOSTEARIC ACID; CHEBI:10275; DTXSID00897457; HMS3650A22; LMFA01030147; AKOS040755421; C08315; cis,trans,trans-octadeca-9,11,13-trienoic acid; octadeca-9-Cis,11-trans,13-trans-trienoic acid; SR-01000946262; 9,11,13-Octadecatrienoic acid, (9Z,11E,13E)-; Q2712733; SR-01000946262-1; CIS,TRANS,TRANS-9,11,13-OCTADECATRIENOIC ACID

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Structure
Formula
C18H30O2
IUPAC Name
(9Z,11E,13E)-octadeca-9,11,13-trienoic acid
Canonical SMILES
CCCCC=CC=CC=CCCCCCCCC(=O)O
InChI
InChI=1S/C18H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-10H,2-4,11-17H2,1H3,(H,19,20)/b6-5+,8-7+,10-9-
InChIKey
CUXYLFPMQMFGPL-WPOADVJFSA-N
PubChem CID
5281115
Full List of Ferroptosis Target Related to This Drug
Long-chain-fatty-acid--CoA ligase 1 (ACSL1)
 Target Info 
In total 1 item(s) under this Target
Experiment 1 Reporting the Ferroptosis-centered Drug Act on This Target [1]
Target for Ferroptosis Driver
Responsed Disease Breast cancer ICD-11: 2C60
 Disease Info 
Pathway Response Fatty acid metabolism hsa01212
Ferroptosis hsa04216
Cell Process Cell ferroptosis
In Vitro Model MDA-MB-468 cells Breast adenocarcinoma Homo sapiens CVCL_0419
MDA-MB-231 cells Breast adenocarcinoma Homo sapiens CVCL_0062
BT-20 cells Invasive breast carcinoma of no special type Homo sapiens CVCL_0178
BT-549 cells Invasive breast carcinoma Homo sapiens CVCL_1092
HCC38 cells Breast ductal carcinoma Homo sapiens CVCL_1267
HCC1806 cells Breast squamous cell carcinoma Homo sapiens CVCL_1258
HCC1187 cells Breast ductal carcinoma Homo sapiens CVCL_1247
HCC1143 cells Breast ductal carcinoma Homo sapiens CVCL_1245
HCC70 cells Breast ductal carcinoma Homo sapiens CVCL_1270
Hs-578T cells Invasive breast carcinoma Homo sapiens CVCL_0332
MCF-10A cells Normal Homo sapiens CVCL_0598
MCF-12A cells Normal Homo sapiens CVCL_3744
In Vivo Model
Mice were housed in a dedicated laboratory animal facility with 12-h light:dark cycle, at 70F+/-2 degrees, and 40-70% relative humidity. Orthotopic xenografts were generated by implanting 2.5 million MDA-MB-231 cells in 100 uL phosphate-buffered saline (PBS) mixed with 100 uL growth factor-reduced Matrigel (Corning) bilaterally into the fourth inguinal fat pad of four- to six-week-old female NOD.

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Response regulation a-eleostearic acid (ESA)-triggered ferroptosis is mediated by acyl-CoA synthetase long-chain isoform 1 (ACSL1), which promotes ESA incorporation into neutral lipids including triacylglycerols in Breast adenocarcinoma.
References
Ref 1 Ferroptotic cell death triggered by conjugated linolenic acids is mediated by ACSL1. Nat Commun. 2021 Apr 14;12(1):2244. doi: 10.1038/s41467-021-22471-y.