Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	28192
Common Name:	(1R)-bornane-2,5-dione
Systematic Name:	(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,5-dione
RefMet Name:	Bornane-2,5-dione
Synonyms:	(+)-Bornane-2,5-dione; (+)-bornane-2,5-dione; 2,5-Diketocamphane [PubChem Synonyms]
Exact Mass:	166.0994 (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:	C10H14O2
InChIKey:	UDIUFGIXIGLRSM-WKEGUHRASA-N
LIPID MAPS Category:	Prenol Lipids [PR]
LIPID MAPS mainclass:	Isoprenoids [PR01]
LIPID MAPS subclass:	C10 isoprenoids (monoterpenes) [PR0102]
LIPID MAPS level4class:	Bicyclic monoterpenoids [LMPR010212]
SMILES:	CC1(C)[C@H]2CC(=O)[C@]1(C)CC2=O
Studies:	Available studies (via RefMet name)

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External database links:

PubChem CID:	6971264
LIPID MAPS ID:	LMPR0102120045
CHEBI ID:	15392
KEGG ID:	C03037
MetaCyc ID:	CPD-864
Plant Metabolite Hub(Pmhub):	MS000017765

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