Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-11-19 05:01:59 UTC
Update Date2024-04-30 20:16:35 UTC
Metabolite IDMMDBc0033760
Metabolite Identification
Common NamePC(14:1(9Z)/22:0)
DescriptionPC(14:1(9Z)/22:0) 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)/22:0), in particular, consists of one 9Z-tetradecenoyl chain to the C-1 atom, and one docosanoyl 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
PC(14:1/22:0)HMDB
PC(36:1)HMDB
Phosphatidylcholine(14:1/22:0)HMDB
1-Myristoleoyl-2-behenoyl-sn-glycero-3-phosphocholineHMDB
LecithinHMDB
GPCho(14:1/22:0)HMDB
Phosphatidylcholine(36:1)HMDB
1-(9Z-Tetradecenoyl)-2-docosanoyl-sn-glycero-3-phosphocholineHMDB
GPCho(36:1)HMDB
PC(14:1(9Z)/22:0)Lipid Annotator
Molecular FormulaC44H86NO8P
Average Mass788.1293
Monoisotopic Mass787.609105245
IUPAC Name(2-{[(2R)-2-(docosanoyloxy)-3-[(9Z)-tetradec-9-enoyloxy]propyl phosphonato]oxy}ethyl)trimethylazanium
Traditional Namelecithin
CAS Registry NumberNot Available
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)O[C@]([H])(COC(=O)CCCCCCC\C=C/CCCC)COP([O-])(=O)OCC[N+](C)(C)C
InChI Identifier
InChI=1S/C44H86NO8P/c1-6-8-10-12-14-16-18-19-20-21-22-23-24-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-17-15-13-11-9-7-2/h13,15,42H,6-12,14,16-41H2,1-5H3/b15-13-/t42-/m1/s1
InChI KeyOSTGKIDWKPXCRQ-FASREOMLSA-N