Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	1908
Common Name:	Sterculic acid
Systematic Name:	9,10-methylene-9-octadecenoic acid
RefMet Name:	Sterculic acid
Synonyms:	omega-(2-n-octylcycloprop-1-enyl)octanoic acid [PubChem Synonyms]
Exact Mass:	294.2559 (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:	C19H34O2
InChIKey:	PQRKPYLNZGDCFH-UHFFFAOYSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Fatty Acids and Conjugates [FA01]
LIPID MAPS subclass:	Carbocyclic fatty acids [FA0114]
SMILES:	CCCCCCCCC1=C(CCCCCCCC(=O)O)C1
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:	12921
LIPID MAPS ID:	LMFA01140018
CHEBI ID:	9261
HMDB ID:	HMDB0258495
KEGG ID:	C08366
Plant Metabolite Hub(Pmhub):	MS000019859

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