Metabolomics Structure Database

 
MW REGNO: 20020
Common Name:PA(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
Systematic Name:1,2-di-(9Z,12Z,15Z-octadecatrienoyl)-sn-glycero-3-phosphate
Synonyms:9,12,15-Octadecatrienoic acid, 1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, [R-(all-Z)]-; PA(18:3/18:3) [PubChem Synonyms]
Exact Mass:
692.4417 (neutral)    Calculate m/z:
Formula:C39H65O8P
InChIKey:SCTIGCPAHAZQNF-DHPXGRBXSA-N
LIPID MAPS Category:Glycerophospholipids [GP]
LIPID MAPS mainclass:Glycerophosphates [GP10]
LIPID MAPS subclass:Diacylglycerophosphates [GP1001]
SMILES:CC/C=CC/C=CC/C=CCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCC/C=CC/C=CC/C=CCC
Studies:Available studies(via PubChem CID)

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External database links:

PubChem CID:9547161
LIPID MAPS ID:LMGP10010016
HMDB ID:HMDB0115010

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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