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Details

Stereochemistry RACEMIC
Molecular Formula C8H14O2
Molecular Weight 142.1956
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-PROPYL-4-PENTENOIC ACID

SMILES

CCCC(CC=C)C(O)=O

InChI

InChIKey=UMYDNZXEHYSVFY-UHFFFAOYSA-N
InChI=1S/C8H14O2/c1-3-5-7(6-4-2)8(9)10/h3,7H,1,4-6H2,2H3,(H,9,10)

HIDE SMILES / InChI

Molecular Formula C8H14O2
Molecular Weight 142.1956
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Fluorinated analogues as mechanistic probes in valproic acid hepatotoxicity: hepatic microvesicular steatosis and glutathione status.
1995 Jul-Aug
Differential effect of valproate and its Delta2- and Delta4-unsaturated metabolites, on the beta-oxidation rate of long-chain and medium-chain fatty acids.
2001 Sep 28
Histone deacetylases inhibition and tumor cells cytotoxicity by CNS-active VPA constitutional isomers and derivatives.
2005 May 15
Science review: carnitine in the treatment of valproic acid-induced toxicity - what is the evidence?
2005 Oct 5
Pyruvate uptake is inhibited by valproic acid and metabolites in mitochondrial membranes.
2008 Oct 15
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:03:39 UTC 2023
Edited
by admin
on Sat Dec 16 08:03:39 UTC 2023
Record UNII
2GYI36I25W
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-PROPYL-4-PENTENOIC ACID
Systematic Name English
PENTANOIC ACID, 2-(2-PROPENYL)-
Common Name English
VALPROIC ACID METABOLITE .DELTA.4-VALPROIC ACID
Common Name English
(±)-2-N-PROPYL-4-PENTENOIC ACID
Systematic Name English
.DELTA.4-VALPROIC ACID
Common Name English
Code System Code Type Description
EPA CompTox
DTXSID20881257
Created by admin on Sat Dec 16 08:03:39 UTC 2023 , Edited by admin on Sat Dec 16 08:03:39 UTC 2023
PRIMARY
CAS
1575-72-0
Created by admin on Sat Dec 16 08:03:39 UTC 2023 , Edited by admin on Sat Dec 16 08:03:39 UTC 2023
PRIMARY
FDA UNII
2GYI36I25W
Created by admin on Sat Dec 16 08:03:39 UTC 2023 , Edited by admin on Sat Dec 16 08:03:39 UTC 2023
PRIMARY
PUBCHEM
104896
Created by admin on Sat Dec 16 08:03:39 UTC 2023 , Edited by admin on Sat Dec 16 08:03:39 UTC 2023
PRIMARY
Related Record Type Details
PARENT -> METABOLITE TOXIC
MINOR
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