RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet ID	RM0153693
RefMet name	Oncobic acid
Systematic name	15-(2-cyclopenten-1-yl)-8-pentadecenoic acid
Synonyms	PubChem Synonyms
Sum Composition	FA 20:3	View other entries in RefMet with this sum composition
Exact mass	306.255880 (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+2K-H]+ [M+Na]+ [M+2Na]2+ [M+2Na-H]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M.CH3]+ [M+Ag]+ [M+H+CH3OH]+ [M+H+CH3CN]+ [M+H+2CH3CN]+ [M+Na+CH3CN]+ [M.NaFormate+H]+ [M.NH4Formate+H]+ [M.TMSi]+ [M.tBuDMSi]+ [M+H-Hexose]+ [M+H-EtnP]+ [M+H-SerP]+ [M-H]- [M-H-H2O]- [M-CH3]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+Na-2H]- [M+K-2H]- [M.Formate]- [M.NaFormate-H]- [M.NH4Formate-H]- [M.F]- [M-H-Ser]- [M.HF2]- M(neutral)    View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
Formula	C20H34O2	View other entries in RefMet with this formula
Molecular descriptors
Molfile	1911 (Download molfile/View MW Metabolite Database details)
InChI	InChI=1S/C20H34O2/c21-20(22)18-12-10-8-6-4-2-1-3-5-7-9-11-15-19-16-13-14-17-19/h1-2,13,16,19H,3-12,14-15,17-18H2,(H,21,22)/b2-1+
InChIKey	KAKYPXHOBZXCNY-UPHRSURJSA-N	View other enantiomers/diastereomers of this metabolite in RefMet
SMILES	C(=C\CCCCCCC(=O)O)\CCCCCCC1C=CCC1 Run Tanimoto similarity search (with similarity coefficient >=0.6)
Chemical/Biochemical Classification
Super Class	Fatty Acyls
Main Class	Fatty acids
Sub Class	Carbocyclic FA
Distribution of Oncobic acid in NMDR studies
Species	Plot Species distribution
Sample source	Plot Sample source(tissue) distribution
Platform	Platform (MS/NMR) used for detection
Chromatography	Chromatography methods used for detection
Studies	NMDR Studies reporting Oncobic acid
External Links
Pubchem CID	44256508
LIPID MAPS	LMFA01140045
ChEBI ID	165376
Structural annotation level
Annotation level	1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)