Metabolomics Structure Database

 
MW REGNO: 39111
Common Name:CDP-DG(16:0/18:1(9Z))
Systematic Name:[({[(2R,3R,5R)-5-(4-amino-2-oxo-1,2-dihydropyrimidin-1-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl)oxy][(2R)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propoxy]phosphinic acid
Synonyms: [PubChem Synonyms]
Exact Mass:
979.5299 (neutral)    Calculate m/z:
Formula:C46H83N3O15P2
InChIKey:FPQIENQTTUVFMM-BLPYJZGISA-N
LIPID MAPS Category:Glycerophospholipids [GP]
LIPID MAPS mainclass:CDP-Glycerols [GP13]
LIPID MAPS subclass:CDP-diacylglycerols [GP1301]
SMILES:CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(O)(=O)OP(O)(=O)OC[C@@H]1O[C@@H](C(O)[C@@H]1O)N1C=CC(N)=NC1=O)OC(=O)CCCCCCC/C=C\CCCCCCCC
Studies:-

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External database links:

PubChem CID:53477915
LIPID MAPS ID:LMGP13010006
HMDB ID:HMDB0006971
Chemspider ID:24765811

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

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