Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	2220
Common Name:	Ricinoleic acid
Systematic Name:	12R-hydroxy-9Z-octadecenoic acid
RefMet Name:	Ricinoleic acid
Synonyms:	9-Octadecenoic acid, 12-hydroxy-, [R-(Z)]-; Ricinoleic acid; 12-D-Hydroxy-9-cis-octadecenoic acid; 12-Hydroxy-cis-9-octadecenoic acid; 12-Hydroxyoctadeca-9-enoic acid; Nouracid CS 80; Ricinic acid; Ricinolic acid [PubChem Synonyms]
Exact Mass:	298.2508 (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:	C18H34O3
InChIKey:	WBHHMMIMDMUBKC-QJWNTBNXSA-N
LIPID MAPS Category:	Fatty Acyls [FA]
LIPID MAPS mainclass:	Octadecanoids [FA02]
LIPID MAPS subclass:	Other Octadecanoids [FA0200]
Massbank MS spectra:	View MS spectra
SMILES:	CCCCCC[C@H](C/C=CCCCCCCCC(=O)O)O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	643684
LIPID MAPS ID:	LMFA02000184
CHEBI ID:	28592
HMDB ID:	HMDB0034297
KEGG ID:	C08365
Plant Metabolite Hub(Pmhub):	MS000014907

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