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Details

Stereochemistry ABSOLUTE
Molecular Formula C15H29NO4
Molecular Weight 287.3951
Optical Activity UNSPECIFIED
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of Valproylcarnitine

SMILES

CCCC(CCC)C(=O)O[C@H](CC([O-])=O)C[N+](C)(C)C

InChI

InChIKey=FJMHZSLUVROGSY-CYBMUJFWSA-N
InChI=1S/C15H29NO4/c1-6-8-12(9-7-2)15(19)20-13(10-14(17)18)11-16(3,4)5/h12-13H,6-11H2,1-5H3/t13-/m1/s1

HIDE SMILES / InChI

Molecular Formula C15H29NO4
Molecular Weight 287.3951
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:20:14 UTC 2023
Edited
by admin
on Sat Dec 16 19:20:14 UTC 2023
Record UNII
5Q9MQB3YZR
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
Valproylcarnitine
Common Name English
1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-[(1-oxo-2-propylpentyl)oxy]-, inner salt, (2R)-
Systematic Name English
Valproyl L-carnitine
Common Name English
Code System Code Type Description
FDA UNII
5Q9MQB3YZR
Created by admin on Sat Dec 16 19:20:14 UTC 2023 , Edited by admin on Sat Dec 16 19:20:14 UTC 2023
PRIMARY
CAS
95782-09-5
Created by admin on Sat Dec 16 19:20:14 UTC 2023 , Edited by admin on Sat Dec 16 19:20:14 UTC 2023
PRIMARY
PUBCHEM
125849
Created by admin on Sat Dec 16 19:20:14 UTC 2023 , Edited by admin on Sat Dec 16 19:20:14 UTC 2023
PRIMARY
EPA CompTox
DTXSID20914812
Created by admin on Sat Dec 16 19:20:14 UTC 2023 , Edited by admin on Sat Dec 16 19:20:14 UTC 2023
PRIMARY
Related Record Type Details
TRANSPORTER -> INHIBITOR
May inhibit L-carnitine reabsorption leading to depletion and toxicity.
Related Record Type Details
PARENT -> METABOLITE
Depletes levels of L-carnitine