Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	1913
Common Name:	Hydnocarpic acid
Systematic Name:	11-(2-cyclopentenyl)-undecanoic acid
RefMet Name:	Hydnocarpic acid
Synonyms:	2-cyclopentene-1-undecanoic acid; 11-(2-cyclopenten-1-yl)undecanoic acid; 11-(cyclopent-2-enyl)hendecanoic acid [PubChem Synonyms]
Exact Mass:	252.2089 (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:	C16H28O2
InChIKey:	SRELFLQJDOTNLJ-UHFFFAOYSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:	Carbocyclic fatty acids [FA0114]
SMILES:	C(CCCCCC(=O)O)CCCCC1C=CCC1
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	110680
LIPID MAPS ID:	LMFA01140023
CHEBI ID:	61671
EPA CompTox DB:	DTXCID60220303
Plant Metabolite Hub(Pmhub):	MS000025396

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