4-HYDROXY-4-METHYLPENTANOIC ACID

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C6H12O3
Molecular Weight	132.1577
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 4-HYDROXY-4-METHYLPENTANOIC ACID

Structure Search

SMILES

CC(C)(O)CCC(O)=O

InChI

InChIKey=PQJUMPXLDAZULJ-UHFFFAOYSA-N

InChI=1S/C6H12O3/c1-6(2,9)4-3-5(7)8/h9H,3-4H2,1-2H3,(H,7,8)

HIDE SMILES / InChI

Molecular Formula	C6H12O3
Molecular Weight	132.1577
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Targets

Targets

Primary Target	Pharmacology	Condition	Potency
Solute carrier family 52, riboflavin transporter, member 2 4 Target ID: Q9HAB3 Gene ID: 79581.0 Gene Symbol: SLC52A2 Target Organism: Homo sapiens (Human) Sources: https://www.ncbi.nlm.nih.gov/pubmed/12606613	Binding Agent 1064		38.0 µM [IC50]

PubMed

PubMed

Title	Date	PubMed
A tertiary alcohol analog of gamma-hydroxybutyric acid as a specific gamma-hydroxybutyric acid receptor ligand.	2003 May	12606613
GHB receptor targets in the CNS: focus on high-affinity binding sites.	2014 Jan 15	24269284

Substance Class	Chemical Created by `admin` on `Sat Dec 16 18:02:13 GMT 2023` Edited by `admin` on `Sat Dec 16 18:02:13 GMT 2023`
Record UNII	RBT229QVC5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

4-HYDROXY-4-METHYLPENTANOIC ACID

Common Name

English

Code System Code Type Description

CAS

23327-19-7

Created by admin on Sat Dec 16 18:02:13 GMT 2023 , Edited by admin on Sat Dec 16 18:02:13 GMT 2023

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EPA CompTox

DTXSID50633867

Created by admin on Sat Dec 16 18:02:13 GMT 2023 , Edited by admin on Sat Dec 16 18:02:13 GMT 2023

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PUBCHEM

23422947

Created by admin on Sat Dec 16 18:02:13 GMT 2023 , Edited by admin on Sat Dec 16 18:02:13 GMT 2023

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FDA UNII

RBT229QVC5

Created by admin on Sat Dec 16 18:02:13 GMT 2023 , Edited by admin on Sat Dec 16 18:02:13 GMT 2023

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WIKIPEDIA

4-Hydroxy-4-methylpentanoic acid

Created by admin on Sat Dec 16 18:02:13 GMT 2023 , Edited by admin on Sat Dec 16 18:02:13 GMT 2023

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