Isocaproaldehyde

CAT: 0804-HY-148614-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-148614-02Size:10 mg

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Description

Isocaproaldehyde is a product of side-chain cleavage of cholesterol. Isocaproaldehyde is an endogenous specific substrate of mouse vas deferens protein (MVDP) [1][2].

CAS Number

1119-16-0

Product Name Alternative

4-Methylpentanal; 4-Methylvaleraldehyde

UNSPSC

12352211

Hazard Statement

H225-H302-H315-H319-H335

Target

Endogenous Metabolite

Type

Natural Products

Related Pathways

Metabolic Enzyme/Protease

Applications

Metabolism-protein/nucleotide metabolism

Field of Research

Metabolic Disease

Assay Protocol

https://www.medchemexpress.com/isocaproaldehyde.html

Solubility

10 mM in DMSO

Smiles

O=CCCC(C)C

Molecular Formula

C6H12O

Molecular Weight

100.16

Precautions

P210-P240-P241-P242-P243-P261-P264-P270-P271-P280-P302+P352-P303+P361+P353-P304+P340-P305+P351+P338-P330-P362-P370+P378-P403+P233-P403+P235-P405-P501

References & Citations

[1]Matsuura K, et al. Aldose reductase is a major reductase for isocaproaldehyde, a product of side-chain cleavage of cholesterol, in human and animal adrenal glands. Arch Biochem Biophys. 1996 Apr 15;328 (2) :265-71. |[2]Lefrançois-Martinez AM, et al. Product of side-chain cleavage of cholesterol, isocaproaldehyde, is an endogenous specific substrate of mouse vas deferens protein, an aldose reductase-like protein in adrenocortical cells. J Biol Chem. 1999 Nov 12;274 (46) :32875-80.

Shipping Conditions

Room temperature

Scientific Category

Natural Products

Clinical Information

No Development Reported

Chemical Information

Isocaproaldehyde

4-methylpentanal is an alpha-CH2-containing aldehyde. It has a role as a mouse metabolite and a human metabolite.

CAS Number	1119-16-0
PubChem CID	129
IUPAC Name	4-methylpentanal
Molecular Formula	C6H12O
Molecular Weight	100.16
XLogP	1.3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Heavy Atom Count	7
Formal Charge	0
Complexity	48

SMILES

CC(C)CCC=O

InChI

InChI=1S/C6H12O/c1-6(2)4-3-5-7/h5-6H,3-4H2,1-2H3

InChIKey

JGEGJYXHCFUMJF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1119-16-0

CID: 129

Formula: C6H12O

MW: 100.16

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	100.16
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	3
Exact Mass	100.088815002
Monoisotopic Mass	100.088815002
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	48.1
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Alternative Products

Catalog	Name
GTR19201975	Isocaproaldehyde

Isocaproaldehyde

Chemical Information

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