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(Rac) -Oleoylcarnitine

CAT: 0013-GTR19239478-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19239478-01Size:10 mg
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Description
(Rac) -Oleoylcarnitine is an endogenous long-chain acylcarnitine that acts as a potential non-competitive inhibitor of the glycine transporter 2 (GLYT2) . This mechanism supports its investigation in preclinical research for analgesia, with studies exploring its role in modulating glycinergic neurotransmission in both in vitro and in vivo models.
CAS Number
13962-05-5
Field of Research
Neuroscience, Signal Transduction
Smiles
C (OC (CCCCCCC/C=C\CCCCCCCC) =O) (C[N+] (C) (C) C) CC ([O-]) =O
Molecular Formula
C25H47NO4
Molecular Weight
425.65
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(((9Z)-1-oxo-9-octadecen-1-yl)oxy)-, inner salt

O-oleoylcarnitine is an O-acylcarnitine having oleoyl as the acyl substituent. It has a role as a human metabolite.

CAS Number13962-05-5
PubChem CID6441392
IUPAC Name3-[(Z)-octadec-9-enoyl]oxy-4-(trimethylazaniumyl)butanoate
Molecular FormulaC25H47NO4
Molecular Weight425.6
XLogP7.9
Topological Polar Surface Area66.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count20
Heavy Atom Count30
Formal Charge0
Complexity463
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)OC(CC(=O)[O-])C[N+](C)(C)C
InChI
InChI=1S/C25H47NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)30-23(21-24(27)28)22-26(2,3)4/h12-13,23H,5-11,14-22H2,1-4H3/b13-12-
InChIKey
IPOLTUVFXFHAHI-SEYXRHQNSA-N
Chemical Structure
2D Structure
2D structure of 1-Propanaminium, 3-carboxy-N,N,N-trimethyl-2-(((9Z)-1-oxo-9-octadecen-1-yl)oxy)-, inner salt
CAS: 13962-05-5
CID: 6441392
Formula: C25H47NO4
MW: 425.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight425.6
XLogP37.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count20
Exact Mass425.35050898
Monoisotopic Mass425.35050898
Topological Polar Surface Area66.4 Ų
Heavy Atom Count30
Formal Charge0
Complexity463
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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