Metabolomics Structure Database
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MW REGNO: | 13567 |
Common Name: | PC(18:2(9Z,12Z)/18:2(9Z,12Z)) |
Systematic Name: | 1,2-di-(9Z,12Z-octadecadienoyl)-sn-glycero-3-phosphocholine |
Synonyms: | 3,5,9-Trioxa-4-phosphaheptacosa-18,21-dien-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxo-9,12-octadecadienyl)oxy]-, inner salt, 4-oxide, [R-(all-Z)]-; 3,5,9-Trioxa-4-phosphaheptacosa-18,21-dien-1-aminium, 4-hydroxy-N,N,N-trimethyl-10-oxo-7-[(1-oxo-9,12-octadecadienyl)oxy]-, hydroxide, inner salt, 4-oxide, [R-(all-Z)]-; Choline, hydroxide, dihydrogen phosphate, inner salt, ester with 1,2-dilinolein, L-(+)-; Linolein, 1,2-di-, dihydrogen phosphate, monoester with choline hydroxide, inner salt, L-(+)-; (1,2-Dilinoleoyl)-3-lecithin; 1,2-Dilinoleoyl-sn-3-glycerophosphorylcholine [PubChem Synonyms] |
Exact Mass: | |
Formula: | C44H80NO8P |
InChIKey: | FVXDQWZBHIXIEJ-LNDKUQBDSA-N |
LIPID MAPS Category: | Glycerophospholipids [GP] |
LIPID MAPS mainclass: | Glycerophosphocholines [GP01] |
LIPID MAPS subclass: | Diacylglycerophosphocholines [GP0101] |
SMILES: | CCCCC/C=CC/C=CCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=CC/C=CCCCCC |
Studies: | Available studies(via PubChem CID) |
Select appropriate tab below to view additional details:
External database links:
PubChem CID: | 5288075 |
LIPID MAPS ID: | LMGP01010937 |
CHEBI ID: | 42027 |
HMDB ID: | HMDB0008138 |
Chemspider ID: | 4450312 |
Plant Metabolite Hub(Pmhub): | MS000015358 |
References
LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200 ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y