EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:72657 - 19,20-DiHDPA

Default Structure
ChEBI IDCHEBI:72657
ChEBI Name19,20-DiHDPA
Stars
DefinitionA DiHDPA obtained by formal dihydroxylation of the 19,20-double bond of docosa-4,7,10,13,16,19-hexaenoic acid.
Last Modified23 October 2015
Submittermwilliams
DownloadsMolfile
FormulaC22H34O4
Net Charge0
Average Mass362.510
Monoisotopic Mass362.24571
SMILESCCC(O)C(O)C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H34O4/c1-2-20(23)21(24)18-16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19-22(25)26/h3-4,7-10,13-16,20-21,23-24H,2,5-6,11-12,17-19H2,1H3,(H,25,26)/b4-3-,9-7-,10-8-,15-13-,16-14-
InChIKeyFFXKPSNQCPNORO-MBYQGORISA-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)
19,20-DiHDPA (CHEBI:72657) has role metabolite (CHEBI:25212)
19,20-DiHDPA (CHEBI:72657) is a DiHDPE (CHEBI:72656)
Incoming Relation(s)
19,20-DiHDPA(1-) (CHEBI:747181) is conjugate base of 19,20-DiHDPA (CHEBI:72657)
IUPAC Name 
(4Z,7Z,10Z,13Z,16Z)-19,20-dihydroxydocosa-4,7,10,13,16-pentaenoic acid
Synonyms  Source
19,20-DiHDoPEHMDB
19,20-DiHDPELIPID MAPS
19,20-dihydroxy-4Z,7Z,10Z,13Z,16Z-docosapentaenoic acidChEBI
Manual XrefsDatabases
HMDB0010214HMDB
LMFA04000043LIPID MAPS
Registry NumbersSources
Reaxys:5349867Reaxys