Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	29105
Common Name:	Homophytanic acid
Systematic Name:	4,8,12,16-tetramethyl-heptadecanoic acid
RefMet Name:	Homophytanic acid
Synonyms:	[PubChem Synonyms]
Exact Mass:	326.3185 (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:	C21H42O2
InChIKey:	ORMFWDWAJNERRN-UHFFFAOYSA-N
LIPID MAPS Category:	Prenol Lipids [PR]
LIPID MAPS mainclass:	Isoprenoids [PR01]
LIPID MAPS subclass:	C20 isoprenoids (diterpenes) [PR0104]
LIPID MAPS level4class:	Acyclic diterpenoids
SMILES:	CC(C)CCCC(C)CCCC(C)CCCC(C)CCC(=O)O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	3080668
LIPID MAPS ID:	LMPR0104010038
HMDB ID:	HMDB0002337
Chemspider ID:	2338414
METLIN ID:	6630

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