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CHEBI:72637 - (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid

ChEBI IDCHEBI:72637
ChEBI Name(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid
Stars
ASCII Name(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid
DefinitionA hydroxydocosahexaenoic acid that consists of 4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid bearing an additional 17-hydroxy substituent.
Secondary ChEBI IDCHEBI:140227
Last Modified16 October 2019
SubmitterBijay, mwilliams
DownloadsMolfile
FormulaC22H32O3
Net Charge0
Average Mass344.495
Monoisotopic Mass344.23514
SMILESCC/C=C\CC(O)/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O
InChIInChI=1S/C22H32O3/c1-2-3-15-18-21(23)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(24)25/h3,5-8,11-16,19,21,23H,2,4,9-10,17-18,20H2,1H3,(H,24,25)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+
InChIKeySWTYBBUBEPPYCX-VIIQGJSXSA-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:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
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,15E,19Z)-17-hydroxydocosahexaenoic acid (CHEBI:72637) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid (CHEBI:72637) has role human xenobiotic metabolite (CHEBI:76967)
(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid (CHEBI:72637) is a hydroxydocosahexaenoic acid (CHEBI:72790)
(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid (CHEBI:72637) is a secondary allylic alcohol (CHEBI:134396)
(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid (CHEBI:72637) is conjugate acid of (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoate (CHEBI:140260)
Incoming Relation(s)
(17R)-hydroxydocosahexaenoic acid (CHEBI:138598) is a (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid (CHEBI:72637)
17(R)-HDoHE (CHEBI:91137) is a (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid (CHEBI:72637)
17(S)-HDoHE (CHEBI:138640) is a (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid (CHEBI:72637)
(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoate (CHEBI:140260) is conjugate base of (4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosahexaenoic acid (CHEBI:72637)
IUPAC Name 
(4Z,7Z,10Z,13Z,15E,19Z)-17-hydroxydocosa-4,7,10,13,15,19-hexaenoic acid
Synonyms  Source
17-HDoHEChEBI
(+/-)-17-hydroxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acidLIPID MAPS
17-Hydroxy-DHAHMDB
17-HDHASUBMITTER
Manual XrefsDatabases
LMFA04000032LIPID MAPS
HMDB0010213HMDB
Registry NumbersSources
Reaxys:14339382Reaxys
CAS:90780-52-2HMDB
Citations