Homovanillic Acid-13C6

CAT: 0804-HY-W777477Size: 1 mgDry Ice: NoHazardous: No

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CAT#:0804-HY-W777477Size:1 mg

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Description

Homovanillic Acid-13C6 (Vanilacetic acid-13C6) is the 13C-labeled Homovanillic acid. Homovanillic acid is a dopamine metabolite found to be associated with aromatic L-amino acid decarboxylase deficiency, celiac disease, growth hormone deficiency, and sepiapterin reductase deficiency.

CAS Number

1185016-45-8

Product Name Alternative

Vanilacetic acid-13C6

UNSPSC

12352005

Target

Autophagy; Drug Metabolite; Endogenous Metabolite; Isotope-Labeled Compounds

Related Pathways

Autophagy; Metabolic Enzyme/Protease; Others

Field of Research

Metabolic Disease

Smiles

O[13C]1=[13C](OC)[13CH]=[13C](CC(O)=O)[13CH]=[13CH]1

Molecular Formula

C3 13C6H10O4

Molecular Weight

188.13

References & Citations

[1]Zhao M, et al., Gut bacteria-driven homovanillic acid alleviates depression by modulating synaptic integrity. Cell Metab. 2024 May 7;36 (5) :1000-1012.e6.

Shipping Conditions

Room temperature

Scientific Category

Isotope-Labeled Compounds

Clinical Information

No Development Reported

Chemical Information

Homovanillic Acid-13C6

CAS Number	1185016-45-8
PubChem CID	46781706
IUPAC Name	2-(4-hydroxy-3-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)acetic acid
Molecular Formula	C9H10O4
Molecular Weight	188.13
XLogP	0.4
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	180

SMILES

CO[13C]1=[13C]([13CH]=[13CH][13C](=[13CH]1)CC(=O)O)O

InChI

InChI=1S/C9H10O4/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4,10H,5H2,1H3,(H,11,12)/i2+1,3+1,4+1,6+1,7+1,8+1

InChIKey

QRMZSPFSDQBLIX-BOCFXHSMSA-N

Chemical Structure

2D Structure

CAS: 1185016-45-8

CID: 46781706

Formula: C9H10O4

MW: 188.13

Interactive 3D Structure

Loading 3D structure...

View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	188.13
XLogP3	0.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	188.07803781
Monoisotopic Mass	188.07803781
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	180
Isotope Atom Count	6
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

Related Products

Catalog	Name
HY-N0384-01	Homovanillic acid
HY-N0384S5	Homovanillic acid-13C, d3
HY-N0384S	Homovanillic acid-d3
HY-W792683-01	Homovanillic Acid Sulfate
HY-N0384R-01	Homovanillic acid (Standard)
HY-N0384S2-01	Homovanillic acid-d5
HY-N0384S1-01	Homovanillic acid-d2
HY-W654215	Homovanillic acid sulfate (sodium)
HY-N0384S4	Homovanillic acid-d3-1
HY-142768S	Homovanillic acid sulfate-d3 (sodium)

Alternative Products

Catalog	Name
TRC-H669503-10MG	Homovanillic Acid-13C6
OR1075436	Homovanillic acid-13C6,18O
278968-01	Homovanillic acid

Homovanillic Acid-13C6

Chemical Information

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