Metabolomics Structure Database

 
MW REGNO: 72021
Common Name:PIP3(16:0/18:1(9Z))
Systematic Name:1-hexadecanoyl-2-(9Z-octadecenoyl)-sn-glycero-3-phospho-(1'-myo-inositol-3',4',5'-trisphosphate)
Synonyms: [PubChem Synonyms]
Exact Mass:
1076.4405 (neutral)    Calculate m/z:
Formula:C43H84O22P4
InChIKey:DJAHJSLZGQTVQW-MISQBZJTSA-N
ClassyFire superclass:Lipids and lipid-like molecules [C0000012]
SMILES:CCCCCCCC/C=CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)COP(=O)(O)O[C@@H]1C([C@@H](C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)O
Studies:-

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External database links:

PubChem CID:53480341
HMDB ID:HMDB0010150
KEGG ID:C00626

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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