Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 05:01:44 UTC
Update Date2024-04-30 20:16:27 UTC
Metabolite IDMMDBc0033754
Metabolite Identification
Common NamePC(14:1(9Z)/18:0)
DescriptionPC(14:1(9Z)/18:0) is a phosphatidylchloline (PC). It is a glycerophospholipid in which a phosphorylcholine moiety occupies a glycerol substitution site. As is the case with diacylglycerols, phosphatidylcholines can have many different combinations of fatty acids of varying lengths and saturation attached to the C-1 and C-2 positions. PC(14:1(9Z)/18:0), in particular, consists of one 9Z-tetradecenoyl chain to the C-1 atom, and one octadecanoyl to the C-2 atom. In E. coli, PCs can be found in the integral component of the cell outer membrane. They are hydrolyzed by Phospholipases to a 2-acylglycerophosphocholine and a carboxylate.
Structure
Synonyms
ValueSource
GPCho(14:1/18:0)HMDB
1-Myristoleoyl-2-stearoyl-sn-glycero-3-phosphocholineHMDB
GPCho(32:1)HMDB
Phosphatidylcholine(14:1/18:0)HMDB
PC(14:1/18:0)HMDB
Phosphatidylcholine(32:1)HMDB
PC(32:1)HMDB
1-(9Z-Tetradecenoyl)-2-octadecanoyl-sn-glycero-3-phosphocholineHMDB
LecithinHMDB
PC(14:1(9Z)/18:0)Lipid Annotator
Molecular FormulaC40H78NO8P
Average Mass732.023
Monoisotopic Mass731.546504989
IUPAC Nametrimethyl(2-{[(2R)-2-(octadecanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl phosphonato]oxy}ethyl)azanium
Traditional Namelecithin
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C
InChI Identifier
InChI=1S/C40H78NO8P/c1-6-8-10-12-14-16-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41(3,4)5)36-46-39(42)32-30-28-26-24-22-17-15-13-11-9-7-2/h13,15,38H,6-12,14,16-37H2,1-5H3/b15-13-/t38-/m1/s1
InChI KeyUSMRUWLOXQOAAX-IUXSEFJDSA-N