CHEBI:72624 - 4-HDoHE

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 4-HDoHE
ChEBI ID CHEBI:72624
Definition A hydroxydocosahexaenoic acid that consists of 5E,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid bearing an additional 4-hydroxy substituent.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C22H32O3
Net Charge 0
Average Mass 344.48770
Monoisotopic Mass 344.23514
InChI InChI=1S/C22H32O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(23)19-20-22(24)25/h3-4,6-7,9-10,12-13,15-18,21,23H,2,5,8,11,14,19-20H2,1H3,(H,24,25)/b4-3-,7-6-,10-9-,13-12-,16-15-,18-17+
InChIKey IFRKCNPQVIJFAQ-PQVBWYSWSA-N
SMILES CC\C=C/C\C=C/C\C=C/C\C=C/C\C=C/C=C/C(O)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 4-HDoHE (CHEBI:72624) has role metabolite (CHEBI:25212)
4-HDoHE (CHEBI:72624) is a hydroxydocosahexaenoic acid (CHEBI:72790)
IUPAC Name
(5E,7Z,10Z,13Z,16Z,19Z)-4-hydroxydocosa-5,7,10,13,16,19-hexaenoic acid
Synonyms Sources
(+/-)-4-HDoHE LIPID MAPS
(+/-)-4-hydroxy-5E,7Z,10Z,13Z,16Z,19Z-docosahexaenoic acid LIPID MAPS
Manual Xref Database
LMFA04000024 LIPID MAPS
View more database links
Registry Number Type Source
9801115 Reaxys Registry Number Reaxys
Last Modified
23 October 2015