Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	17571
Common Name:	PS(18:1(9Z)/0:0)
Systematic Name:	1-(9Z-octadecenoyl)-sn-glycero-3-phosphoserine
RefMet Name:	PS 18:1(9Z)/0:0
Synonyms:	L-Serine, 2-hydroxy-3-[(1-oxo-9-octadecenyl)oxy]propyl hydrogen phosphate (ester), [R-(Z)]-; PS(18:1/0:0) [PubChem Synonyms]
Exact Mass:	523.2910 (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:	C24H46NO9P
InChIKey:	JZWNYZVVZXZRRH-YFKVPUFHSA-N
LIPID MAPS Category:	Glycerophospholipids [GP]
LIPID MAPS mainclass:	Glycerophosphoserines [GP03]
LIPID MAPS subclass:	Monoacylglycerophosphoserines [GP0305]
Massbank MS spectra:	View MS spectra
SMILES:	CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	9547099
LIPID MAPS ID:	LMGP03050001
CHEBI ID:	52649
HMDB ID:	HMDB0240603

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