Showing metabocard for PC(22:1(13Z)/18:1(11Z)) (MMDBc0034135)

Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 05:17:31 UTC
Update Date2022-12-15 22:52:10 UTC
MiMeDB IDMMDBc0034135
Metabolite Identification
Common NamePC(22:1(13Z)/18:1(11Z))
DescriptionPC(22:1(13Z)/18:1(11Z)) is a phosphatidylcholine (PC or GPCho). It is a glycerophospholipid in which a phosphorylcholine moiety occupies a glycerol substitution site. As is the case with diacylglycerols, glycerophosphocholines can have many different combinations of fatty acids of varying lengths and saturation attached at the C-1 and C-2 positions. Fatty acids containing 16, 18 and 20 carbons are the most common. PC(22:1(13Z)/18:1(11Z)), in particular, consists of one chain of erucic acid at the C-1 position and one chain of vaccenic acid at the C-2 position. The erucic acid moiety is derived from seed oils and avocados, while the vaccenic acid moiety is derived from butter fat and animal fat. Phospholipids, are ubiquitous in nature and are key components of the lipid bilayer of cells, as well as being involved in metabolism and signaling.While most phospholipids have a saturated fatty acid on C-1 and an unsaturated fatty acid on C-2 of the glycerol backbone, the fatty acid distribution at the C-1 and C-2 positions of glycerol within phospholipids is continually in flux, owing to phospholipid degradation and the continuous phospholipid remodeling that occurs while these molecules are in membranes. PCs can be synthesized via three different routes. In one route, choline is activated first by phosphorylation and then by coupling to CDP prior to attachment to phosphatidic acid. PCs can also synthesized by the addition of choline to CDP-activated 1,2-diacylglycerol. A third route to PC synthesis involves the conversion of either PS or PE to PC.
Structure
MOLSDFPDBSMILESInChI

MOL for #<Metabolite:0x000055b76e155678>

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3D MOL for #<Metabolite:0x000055b76e155678>

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3D SDF for #<Metabolite:0x000055b76e155678>

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3D-SDF for #<Metabolite:0x000055b76e155678>

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PDB for #<Metabolite:0x000055b76e155678>

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3D PDB for #<Metabolite:0x000055b76e155678>

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SMILES for #<Metabolite:0x000055b76e155678>

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INCHI for #<Metabolite:0x000055b76e155678>

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SynonymsNot Available
Chemical FormulaC48H92NO8P
Average Molecular Weight842.2197
Monoisotopic Molecular Weight841.656055437
IUPAC NameNot Available
Traditional NameNot Available
CAS Registry NumberNot Available
SMILESNot Available
InChI Identifier
InChI=1S/C48H92NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49(3,4)5)57-48(51)41-39-37-35-33-31-29-26-21-19-17-15-13-11-9-7-2/h17,19-20,22,46H,6-16,18,21,23-45H2,1-5H3
InChI KeyVMYYPARBVHMEFG-UHFFFAOYSA-N