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Details

Stereochemistry ABSOLUTE
Molecular Formula C20H28O3
Molecular Weight 316.4345
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 3
Charge 0

SHOW SMILES / InChI
Structure of 15-DEOXY-.DELTA.12,14-PROSTAGLANDIN J2

SMILES

CCCCC\C=C\C=C1/[C@@H](C\C=C/CCCC(O)=O)C=CC1=O

InChI

InChIKey=VHRUMKCAEVRUBK-GODQJPCRSA-N
InChI=1S/C20H28O3/c1-2-3-4-5-6-10-13-18-17(15-16-19(18)21)12-9-7-8-11-14-20(22)23/h6-7,9-10,13,15-17H,2-5,8,11-12,14H2,1H3,(H,22,23)/b9-7-,10-6+,18-13+/t17-/m0/s1

HIDE SMILES / InChI

Molecular Formula C20H28O3
Molecular Weight 316.4345
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 3
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 07:59:45 UTC 2023
Edited
by admin
on Sat Dec 16 07:59:45 UTC 2023
Record UNII
ALI977775J
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
15-DEOXY-.DELTA.12,14-PROSTAGLANDIN J2
Common Name English
15-DPGJ2
Common Name English
PROSTA-5,9,12,14-TETRAEN-1-OIC ACID, 11-OXO-, (5Z,12E,14E)-
Systematic Name English
(5Z,12E,14E)-11-OXOPROSTA-5,9,12,14-TETRAEN-1-OIC ACID
Systematic Name English
.DELTA.12,14-PGJ 2
Common Name English
J694.826J
Code English
15 PGJ2
Common Name English
Code System Code Type Description
CHEBI
34159
Created by admin on Sat Dec 16 07:59:45 UTC 2023 , Edited by admin on Sat Dec 16 07:59:45 UTC 2023
PRIMARY
CAS
87893-55-8
Created by admin on Sat Dec 16 07:59:45 UTC 2023 , Edited by admin on Sat Dec 16 07:59:45 UTC 2023
PRIMARY
EPA CompTox
DTXSID1043706
Created by admin on Sat Dec 16 07:59:45 UTC 2023 , Edited by admin on Sat Dec 16 07:59:45 UTC 2023
PRIMARY
PUBCHEM
5311211
Created by admin on Sat Dec 16 07:59:45 UTC 2023 , Edited by admin on Sat Dec 16 07:59:45 UTC 2023
PRIMARY
FDA UNII
ALI977775J
Created by admin on Sat Dec 16 07:59:45 UTC 2023 , Edited by admin on Sat Dec 16 07:59:45 UTC 2023
PRIMARY
Related Record Type Details
TARGET -> AGONIST
Binding Assay
IC50