RefMet Compound Details

RefMet ID, RefMet name, exact mass and formula
RefMet IDRM0021577
RefMet nameOctopamine
Systematic name4-[(1R)-2-amino-1-hydroxyethyl]phenol
SynonymsPubChem Synonyms
Exact mass153.078979 (neutral)
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View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC8H11NO2View other entries in RefMet with this formula
Molecular descriptors
Molfile38558 (Download molfile/View MW Metabolite Database details)
InChIInChI=1S/C8H11NO2/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4,8,10-11H,5,9H2/t8-/m0/s1
InChIKeyQHGUCRYDKWKLMG-QMMMGPOBSA-NView other enantiomers/diastereomers of this metabolite in RefMet
SMILESc1cc(ccc1[C@H](CN)O)O
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Chemical/Biochemical Classification
Super ClassAlkaloids
Main ClassTyrosine alkaloids
Sub ClassPhenylethylamines
Distribution of Octopamine in NMDR studies
SpeciesPlot Species distribution
Sample sourcePlot Sample source(tissue) distribution
StudiesNMDR Studies reporting Octopamine
External Links
Pubchem CID440266
ChEBI ID44715
KEGG IDC04227
HMDB IDHMDB0004825
Chemspider ID389242
MetaCyc IDCPD-58
Structural annotation level
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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