3-Hydroxyhexadecanoylcarnitine
Also known as 3-(3-hydroxyhexadecanoyloxy)-4-(trimethylazaniumyl)butanoate, 3-((3-Hydroxyhexadecanoyl)oxy)-4-(trimethylammonio)butanoate, 3-[(3-hydroxyhexadecanoyl)oxy]-4-(trimethylammonio)butanoate
Key facts
What buyers check first
- CAS number
- 195207-76-2
- Formula
- C23H45NO5
- Molar mass
- 415.62 g/mol
- HS code
- 292390
- Category
- Cationic surfactants
What is 3-Hydroxyhexadecanoylcarnitine?
Plain description, key identifiers and synonyms
3-hydroxyhexadecanoylcarnitine is an O-acylcarnitine having 3-hydroxyhexadecanoyl as the acyl substituent. It has a role as a metabolite. It is an O-acylcarnitine, a carboxylic ester and an ammonium betaine. It is functionally related to a carnitine.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 3-(3-hydroxyhexadecanoyloxy)-4-(trimethylazaniumyl)butanoate
- CAS number
- 195207-76-2
- Molecular formula
- C23H45NO5
- InChIKey
- XKAZIAFZAQAHHG-UHFFFAOYSA-N
- InChI
- InChI=1S/C23H45NO5/c1-5-6-7-8-9-10-11-12-13-14-15-16-20(25)17-23(28)29-21(18-22(26)27)19-24(2,3)4/h20-21,25H,5-19H2,1-4H3
- SMILES (canonical and isomeric)
- CCCCCCCCCCCCCC(CC(=O)OC(CC(=O)[O-])C[N+](C)(C)C)O
Synonyms
- 3-(3-hydroxyhexadecanoyloxy)-4-(trimethylazaniumyl)butanoate
- 3-((3-Hydroxyhexadecanoyl)oxy)-4-(trimethylammonio)butanoate
- 3-[(3-hydroxyhexadecanoyl)oxy]-4-(trimethylammonio)butanoate
- 3-hydroxyhexadecanoyl carnitine
- AC(16:0(3-OH))
- 3-[(3-hydroxyhexadecanoyl)oxy]-4-(trimethylazaniumyl)butanoate
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 415.62 g/molcalc.Computed value |
|---|---|
| Exact mass | 415.3298 Dacalc.Computed value |
| LogP (octanol/water) | 3.2calc.Computed value |
| Topological polar surface area | 86.66 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 5calc.Computed value |
| Rotatable bonds | 19calc.Computed value |
| Heavy atoms | 29calc.Computed value |
| Rings | 0calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 0.91calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 2calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
3-Hydroxyhexadecanoylcarnitine suppliers
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3-Hydroxyhexadecanoylcarnitine price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Roles
- metabolite
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code 3-Hydroxyhexadecanoylcarnitine is traded under.
Quaternary ammonium salts and hydroxides whether or not chemically defined not elsewhere classified…
- China36.7%
- United States14.2%
- Netherlands9.4%
- South Korea10.7%
- Germany10.1%
- United States9.9%
The HS code shown for 3-Hydroxyhexadecanoylcarnitine is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
![(2R)-3-Carboxy-2-[(3-hydroxyhexadecanoyl)oxy]-N,N,N-trimethylpropan-1-aminium chemical structure, C23H46NO5+, CAS 853681-21-7](/s/XKAZIAFZAQAHHG-BPGUCPLFSA-O.svg)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
![[(3R)-3-Hydroxydodecanoyl]-L-carnitine chemical structure, C19H37NO5, CAS 1469900-99-9](/s/ULWDPUHFMOBGFJ-IAGOWNOFSA-N.svg)
![(3R)-3-[(3R)-3-Hydroxytetradecanoyl]oxy-4-(trimethylazaniumyl)butanoate chemical structure, C21H41NO5, CAS 1469901-02-7](/s/GFAZJTUXMHGTOC-RTBURBONSA-N.svg)
![[(3R)-3-Hydroxydecanoyl]-L-carnitine chemical structure, C17H33NO5, CAS 1469900-97-7](/s/VCRSQDIROUELAR-HUUCEWRRSA-N.svg)
![(3R)-3-[(Z)-3-Hydroxyoctadec-9-enoyl]oxy-4-(trimethylazaniumyl)butanoate chemical structure, C25H47NO5, CAS 851132-91-7](/s/YBCVTTMMURGSEY-LMLDZDDJSA-N.svg)
Same formula isomers
Different compounds that share this molecular formula
Frequently asked questions
Quick answers about 3-Hydroxyhexadecanoylcarnitine, based on the data on this page
What is 3-Hydroxyhexadecanoylcarnitine?
Guides for buyers
Practical guides that help when you source, ship or handle 3-Hydroxyhexadecanoylcarnitine
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- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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