Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	20028
Common Name:	PA(14:0/14:0)
Systematic Name:	1,2-ditetradecanoyl-sn-glycero-3-phosphate
RefMet Name:	PA 14:0/14:0
Synonyms:	Dimyristoyl phosphatidic acid; Tetradecanoic acid, 1-[(phosphonooxy)methyl]-1,2-ethanediyl ester, (R)-; Myristin, 1,2-di-, dihydrogen phosphate, L-; 1,2-Dimyristoyl-sn-glycero-3-phosphatidic acid; 1,2-Dimyristoyl-sn-glycero-3-phosphatidic acid; Dimyristoyl-sn-glycerol 3-phosphate; L-alp [PubChem Synonyms]
Exact Mass:	592.4104 (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:	C31H61O8P
InChIKey:	OZSITQMWYBNPMW-GDLZYMKVSA-N
LIPID MAPS Category:	Glycerophospholipids [GP]
LIPID MAPS mainclass:	Glycerophosphates [GP10]
LIPID MAPS subclass:	Diacylglycerophosphates [GP1001]
SMILES:	CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	9547169
LIPID MAPS ID:	LMGP10010026
CHEBI ID:	84266

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
NPClassifier classification: "NPClassifier: A Deep Neural Network-Based Structural Classification Tool for Natural Products", Kim HW, Wang M, Leber CA, Nothias LF, Reher R, Kang KB, van der Hooft JJJ, Dorrestein PC, Gerwick WH and Cottrell GW. J Nat Prod. 2021 Nov 26;84(11):2795-2807.DOI: 10.1021/acs.jnatprod.1c00399.