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Cholesteryl arachidonate

CAT: 0804-HY-113369-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-113369-01Size:1 mg
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Description
Cholesteryl arachidonate is an endogenous metabolite.
CAS Number
604-34-2
UNSPSC
12352211
Target
Endogenous Metabolite
Type
Natural Products
Related Pathways
Metabolic Enzyme/Protease
Applications
Neuroscience-Neuromodulation
Field of Research
Metabolic Disease
Assay Protocol
https://www.medchemexpress.com/cholesteryl-arachidonate.html
Purity
99.20
Solubility
DMSO : 100 mg/mL (ultrasonic)
Smiles
CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2([H])[C@]3([H])CC=C4C[C@@H](OC(CCC/C=C\C/C=C\C/C=C\C/C=C\CCCCC)=O)CC[C@]4(C)[C@@]3([H])CC[C@]12C
Molecular Formula
C47H76O2
Molecular Weight
673.11
Shipping Conditions
Blue Ice
Storage Conditions
-20°C, 3 years (Powder)
Scientific Category
Natural Products
Clinical Information
No Development Reported
Isoform
Human Endogenous Metabolite

Chemical Information

Cholesteryl arachidonate

Cholesteryl arachidonate is a cholesterol ester obtained by the formal condensation of the hydroxy group in cholesterol with the carboxy group of arachidonic acid. It has a role as an antibacterial agent and a mouse metabolite. It is functionally related to an arachidonic acid.

CAS Number604-34-2
PubChem CID6479222
IUPAC Name[(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] (5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenoate
Molecular FormulaC47H76O2
Molecular Weight673.1
XLogP15.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count21
Heavy Atom Count49
Formal Charge0
Complexity1140
SMILES
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@]4([C@H]([C@@H]3CC=C2C1)CC[C@@H]4[C@H](C)CCCC(C)C)C)C
InChI
InChI=1S/C47H76O2/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-27-45(48)49-40-32-34-46(5)39(36-40)28-29-41-43-31-30-42(38(4)26-24-25-37(2)3)47(43,6)35-33-44(41)46/h11-12,14-15,17-18,20-21,28,37-38,40-44H,7-10,13,16,19,22-27,29-36H2,1-6H3/b12-11-,15-14-,18-17-,21-20-/t38-,40+,41+,42-,43+,44+,46+,47-/m1/s1
InChIKey
IMXSFYNMSOULQS-BEDFLICRSA-N
Chemical Structure
2D Structure
2D structure of Cholesteryl arachidonate
CAS: 604-34-2
CID: 6479222
Formula: C47H76O2
MW: 673.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight673.1
XLogP315.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count21
Exact Mass672.58453166
Monoisotopic Mass672.58453166
Topological Polar Surface Area26.3 Ų
Heavy Atom Count49
Formal Charge0
Complexity1140
Isotope Atom Count0
Defined Atom Stereocenter Count8
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count4
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Related Products

CatalogName
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HY-166061Myristoleyl arachidonate
HY-165751-01Oleyl arachidonate
HY-165994Stearyl arachidonate
HY-165988Linoleyl arachidonate
HY-166203Lauryl arachidonate
HY-165803Behenyl arachidonate
HY-165868Palmityl arachidonate

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TRC-C432583-5MGCholesteryl Arachidonate
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269466-01Cholesteryl Pelargonate
T10807-01Cholesteryl Linolenate
T38056-01Cholesteryl Arachidate
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MBS393689-01Cholesteryl Myristate
MBS3615672-01Cholesteryl oleate

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