CHEBI:72613 - 16-HDoHE

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 16-HDoHE
ChEBI ID CHEBI:72613
Definition A hydroxydocosahexaenoic acid that consists of 4Z,7Z,10Z,13Z,17E,19Z-docosahexaenoic acid bearing an additional 16-hydroxy substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H32O3
Net Charge 0
Average Mass 344.48770
Monoisotopic Mass 344.23514
InChI InChI=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+
InChIKey CSXQXWHAGLIFIH-VUARBJEWSA-N
SMILES CC\C=C/C=C/C(O)C\C=C/C\C=C/C\C=C/C\C=C/CCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
(via hydroxydocosahexaenoic acid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 Sources
(+/-)-16-HDoHE LIPID MAPS
(+/-)-16-hydroxy-4Z,7Z,10Z,13Z,17E,19Z-docosahexaenoic acid LIPID MAPS
Manual Xref Database
LMFA04000031 LIPID MAPS
View more database links
Registry Number Type Source
14554716 Reaxys Registry Number Reaxys
Last Modified
23 October 2015