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CHEBI:165265 - 12R-HEPE

ChEBI IDCHEBI:165265
ChEBI Name12R-HEPE
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC20H30O3
Net Charge0
Average Mass318.457
Monoisotopic Mass318.21949
SMILESCC/C=C\C/C=C\C[C@@H](O)/C=C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H30O3/c1-2-3-4-5-10-13-16-19(21)17-14-11-8-6-7-9-12-15-18-20(22)23/h3-4,7-11,13-14,17,19,21H,2,5-6,12,15-16,18H2,1H3,(H,22,23)/b4-3-,9-7-,11-8-,13-10-,17-14+/t19-/m1/s1
InChIKeyMCRJLMXYVFDXLS-IHWYZUJNSA-N
Roles Classification
Chemical Roles:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
12R-HEPE (CHEBI:165265) is a HEPE (CHEBI:72799)
IUPAC Name 
(5Z,8Z,10E,12R,14Z,17Z)-12-hydroxyicosa-5,8,10,14,17-pentaenoic acid
Manual XrefsDatabases
4446312ChemSpider
DB15571DrugBank
LMFA03070007LIPID MAPS
Registry NumbersSources
CAS:109430-12-8ChemIDplus