Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	16433
Common Name:	PS(16:0/16:0)
Systematic Name:	1,2-dihexadecanoyl-sn-glycero-3-phosphoserine
RefMet Name:	PS 16:0/16:0
Synonyms:	Dipalmitoyl phosphatidylserine; Serine, 2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate (ester), (R)-; DL-Serine, 2,3-bis[(1-oxohexadecyl)oxy]propyl hydrogen phosphate (ester), (R) [PubChem Synonyms]
Exact Mass:	735.5050 (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:	C38H74NO10P
InChIKey:	KLFKZIQAIPDJCW-GPOMZPHUSA-N
LIPID MAPS Category:	Glycerophospholipids [GP]
LIPID MAPS mainclass:	Glycerophosphoserines [GP03]
LIPID MAPS subclass:	Diacylglycerophosphoserines [GP0301]
MoNA MS spectra:	View MS spectra
SMILES:	CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCC
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	9547090
LIPID MAPS ID:	LMGP03010029
CHEBI ID:	84523
HMDB ID:	HMDB0000614
KEGG ID:	C02737
Plant Metabolite Hub(Pmhub):	MS000015498

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