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CHEBI:77124 - (4Z,7Z,10Z,13Z,16Z,19Z)-22-hydroxydocosahexaenoic acid

ChEBI IDCHEBI:77124
ChEBI Name(4Z,7Z,10Z,13Z,16Z,19Z)-22-hydroxydocosahexaenoic acid
Stars
ASCII Name(4Z,7Z,10Z,13Z,16Z,19Z)-22-hydroxydocosahexaenoic acid
DefinitionA HDoHE obtained by hydroxylation at position 2 of all-cis-docosa-4,7,10,13,16,19-hexaenoic acid.
Last Modified1 March 2017
SubmitterSteve
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILESO=C(O)CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCO
InChIInChI=1S/C22H32O3/c23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(24)25/h2-5,8-11,14-17,23H,1,6-7,12-13,18-21H2,(H,24,25)/b4-2-,5-3-,10-8-,11-9-,16-14-,17-15-
InChIKeyDTRUULZFBQUZPD-OAKYPOHLSA-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)
(4Z,7Z,10Z,13Z,16Z,19Z)-22-hydroxydocosahexaenoic acid (CHEBI:77124) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
(4Z,7Z,10Z,13Z,16Z,19Z)-22-hydroxydocosahexaenoic acid (CHEBI:77124) is a homoallylic alcohol (CHEBI:134362)
(4Z,7Z,10Z,13Z,16Z,19Z)-22-hydroxydocosahexaenoic acid (CHEBI:77124) is a hydroxydocosahexaenoic acid (CHEBI:72790)
(4Z,7Z,10Z,13Z,16Z,19Z)-22-hydroxydocosahexaenoic acid (CHEBI:77124) is conjugate acid of (4Z,7Z,10Z,13Z,16Z,19Z)-22-hydroxydocosahexaenoate (CHEBI:77015)
Incoming Relation(s)
(4Z,7Z,10Z,13Z,16Z,19Z)-22-hydroxydocosahexaenoate (CHEBI:77015) is conjugate base of (4Z,7Z,10Z,13Z,16Z,19Z)-22-hydroxydocosahexaenoic acid (CHEBI:77124)
IUPAC Name 
(4Z,7Z,10Z,13Z,16Z,19Z)-22-hydroxydocosa-4,7,10,13,16,19-hexaenoic acid
Synonym  Source
22-hydroxy-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoic acidChEBI