Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	2149
Common Name:	8R-HpODE
Systematic Name:	8R-hydroperoxy-9Z,12Z-octadecadienoic acid
RefMet Name:	8R-HpODE
Synonyms:	(9Z,12Z)-(8R)-8-Hydroperoxyoctadeca-9,12-dienoic acid [PubChem Synonyms]
Exact Mass:	312.2301 (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:	C18H32O4
InChIKey:	RGJSGXNKRWWCOQ-QMEIEYGNSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Octadecanoids [FA02]
LIPID MAPS subclass:	Other Octadecanoids [FA0200]
SMILES:	CCCCC/C=CC/C=C[C@@H](CCCCCCC(=O)O)OO
Studies:	Available studies (via RefMet name)

Select appropriate tab below to view additional details:

All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	6438758
LIPID MAPS ID:	LMFA02000113
CHEBI ID:	34485
HMDB ID:	HMDB0004706
KEGG ID:	C14831
Chemspider ID:	4943210
Plant Metabolite Hub(Pmhub):	MS000024021

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