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Homovanillic acid-d5

CAT: 0804-HY-N0384S2-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-N0384S2-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
Homovanillic acid-d5 (Vanilacetic acid-d5) is the deuterium labeled Homovanillic acid. Homovanillic acid (Vanilacetic 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[1].
CAS Number
53587-32-9
Product Name Alternative
Vanilacetic acid-d5
UNSPSC
12352005
Hazard Statement
H302, H315, H319, H335
Target
Autophagy; Drug Metabolite; Endogenous Metabolite; Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Autophagy; Metabolic Enzyme/Protease; Others
Field of Research
Metabolic Disease; Neurological Disease
Purity
99.0
Solubility
DMSO : ≥ 100mg/mL|H2O : 8.33mg/mL (ultrasonic)
Smiles
OC(C([2H])([2H])C1=C([2H])C(OC)=C(C([2H])=C1[2H])O)=O
Molecular Formula
C9H5D5O4
Molecular Weight
187.20
Precautions
H302, H315, H319, H335
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
Storage Conditions
4°C (Powder, sealed storage, away from moisture and light)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

Homovanillic acid-d5
CAS Number53587-32-9
PubChem CID12347943
IUPAC Name2,2-dideuterio-2-(2,3,6-trideuterio-4-hydroxy-5-methoxyphenyl)acetic acid
Molecular FormulaC9H10O4
Molecular Weight187.20
XLogP0.4
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count13
Formal Charge0
Complexity180
SMILES
[2H]C1=C(C(=C(C(=C1C([2H])([2H])C(=O)O)[2H])OC)O)[2H]
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)/i2D,3D,4D,5D2
InChIKey
QRMZSPFSDQBLIX-DVHRWRHBSA-N
Chemical Structure
2D Structure
2D structure of Homovanillic acid-d5
CAS: 53587-32-9
CID: 12347943
Formula: C9H10O4
MW: 187.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight187.20
XLogP30.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass187.08929253
Monoisotopic Mass187.08929253
Topological Polar Surface Area66.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity180
Isotope Atom Count5
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-H669506-1MGHomovanillic Acid-d5
278968-01Homovanillic acid

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