Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	13324
Common Name:	PC(12:0/12:0)
Systematic Name:	1,2-didodecanoyl-sn-glycero-3-phosphocholine
RefMet Name:	PC 12:0/12:0
Synonyms:	Dilauroyl phosphatidylcholine; 1,2-dilauroyl-sn-glycero-3-phosphocholine; 1,2-didodecanoyl-sn-phosphatidylcholine; Choline, hydroxide, dihydrogen phosphate, inner salt, ester with 1,2-dilaurin, L-; 1,2-Didodecanoyl-sn-glycero-3-phosphocholine; 1,2-Dilaurin dihydrogen phosphate monoester with L-choline hydroxide inner salt; 1,2-Dilauroyl-L-phosphatidylcholine; 1,2-Dilauroyl-sn-3-phosphatidylcholine [PubChem Synonyms]
Exact Mass:	621.4370 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C32H64NO8P
InChIKey:	IJFVSSZAOYLHEE-SSEXGKCCSA-N
LIPID MAPS Category:	Glycerophospholipids [GP]
LIPID MAPS mainclass:	Glycerophosphocholines [GP01]
LIPID MAPS subclass:	Diacylglycerophosphocholines [GP0101]
SMILES:	CCCCCCCCCCCC(=O)OC[C@H](COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCC
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	512874
LIPID MAPS ID:	LMGP01010429
CHEBI ID:	65211
HMDB ID:	HMDB0244809

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