Metabolomics Structure Database

 
Created with Raphaƫl 2.1.0OOHOHOOPOHOOHOHOHOHOH
MW REGNO: 19972
Common Name:PI(18:1(9Z)/0:0)
Systematic Name:1-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol)
RefMet Name:LPI 18:1(9Z)/0:0
Synonyms:PI(18:1/0:0) [PubChem Synonyms]
Exact Mass:
598.3118 (neutral)    Calculate m/z:
Formula:C27H51O12P
InChIKey:UGDOFRYHDCDVHD-FRWBGTIISA-N
LIPID MAPS Category:Glycerophospholipids [GP]
LIPID MAPS mainclass:Glycerophosphoinositols [GP06]
LIPID MAPS subclass:Monoacylglycerophosphoinositols [GP0605]
SMILES:CCCCCCCC/C=CCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)O)O)O)O)O
Studies:Available studies (via RefMet name)

Select appropriate tab below to view additional details:

External database links:

PubChem CID:42607496
LIPID MAPS ID:LMGP06050005
CHEBI ID:82753
HMDB ID:HMDB0061693

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

  logo