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CHEBI:72613 - 16-HDoHE

ChEBI IDCHEBI:72613
ChEBI Name16-HDoHE
Stars
DefinitionA hydroxydocosahexaenoic acid that consists of 4Z,7Z,10Z,13Z,17E,19Z-docosahexaenoic acid bearing an additional 16-hydroxy substituent.
Last Modified23 October 2015
Submittermwilliams
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILESCC/C=C\C=C\C(O)C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H32O3/c1-2-3-4-15-18-21(23)19-16-13-11-9-7-5-6-8-10-12-14-17-20-22(24)25/h3-4,6-9,12-16,18,21,23H,2,5,10-11,17,19-20H2,1H3,(H,24,25)/b4-3-,8-6-,9-7-,14-12-,16-13-,18-15+
InChIKeyCSXQXWHAGLIFIH-VUARBJEWSA-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 Roles:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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)
16-HDoHE (CHEBI:72613) has role metabolite (CHEBI:25212)
16-HDoHE (CHEBI:72613) is a hydroxydocosahexaenoic acid (CHEBI:72790)
IUPAC Name 
(4Z,7Z,10Z,13Z,17E,19Z)-16-hydroxydocosa-4,7,10,13,17,19-hexaenoic acid
Synonyms  Source
(+/-)-16-HDoHELIPID MAPS
(+/-)-16-hydroxy-4Z,7Z,10Z,13Z,17E,19Z-docosahexaenoic acidLIPID MAPS
Manual XrefsDatabases
LMFA04000031LIPID MAPS
Registry NumbersSources
Reaxys:14554716Reaxys