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PON-PC

CAT: 0013-GTR19232454-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19232454-01Size:1 mg
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Description
PON-PC is an oxidized phospholipid derived from POPC oxidation or ozone interaction, present in oxidized LDL. It reduces TNF-α, NO, and NADP+ production in macrophages and impairs bactericidal activity. Elevated levels are found in BALF of cigarette smoke-exposed or aged mice, making it relevant for studying inflammation, immunomodulation, and lung aging.
CAS Number
135726-46-4
Smiles
[C@@H] (COP (OCC[N+] (C) (C) C) (=O) [O-]) (OC (CCCCCCCC=O) =O) COC (CCCCCCCCCCCCCCC) =O
Molecular Formula
C33H64NO9P
Molecular Weight
649.4
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-Hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine

1-hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine is a 1,2-diacyl-sn-glycero-3-phosphocholine in which the 1- and 2-acyl groups are specified as hexadecanoyl and 9-oxononanoyl respectively. It has a role as a Papio hamadryas metabolite and a human metabolite. It is an aldehyde and a 1,2-diacyl-sn-glycero-3-phosphocholine. It is functionally related to a hexadecanoic acid and a 9-oxononanoic acid.

CAS Number135726-46-4
PubChem CID46907874
IUPAC Name[(2R)-3-hexadecanoyloxy-2-(9-oxononanoyloxy)propyl] 2-(trimethylazaniumyl)ethyl phosphate
Molecular FormulaC33H64NO9P
Molecular Weight649.8
XLogP7.8
Topological Polar Surface Area128
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count34
Heavy Atom Count44
Formal Charge0
Complexity765
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=O
InChI
InChI=1S/C33H64NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-32(36)40-29-31(30-42-44(38,39)41-28-26-34(2,3)4)43-33(37)25-22-19-16-17-20-23-27-35/h27,31H,5-26,28-30H2,1-4H3/t31-/m1/s1
InChIKey
PPTNNIINSOQWCE-WJOKGBTCSA-N
Chemical Structure
2D Structure
2D structure of 1-Hexadecanoyl-2-(9-oxononanoyl)-sn-glycero-3-phosphocholine
CAS: 135726-46-4
CID: 46907874
Formula: C33H64NO9P
MW: 649.8
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight649.8
XLogP37.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count9
Rotatable Bond Count34
Exact Mass649.43186962
Monoisotopic Mass649.43186962
Topological Polar Surface Area128 Ų
Heavy Atom Count44
Formal Charge0
Complexity765
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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