EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:136113 - (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoic acid

ChEBI IDCHEBI:136113
ChEBI Name(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoic acid
Stars
ASCII Name(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoic acid
DefinitionA docosanoid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying a hydroperoxy substituent at position 17S.
Secondary ChEBI IDCHEBI:138639
Last Modified24 January 2023
SubmitterBijay, Steve
DownloadsMolfile
FormulaC22H32O4
Net Charge0
Average Mass360.494
Monoisotopic Mass360.23006
SMILESCC/C=C\C[C@@H](/C=C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O)OO
InChIInChI=1S/C22H32O4/c1-2-3-15-18-21(26-25)19-16-13-11-9-7-5-4-6-8-10-12-14-17-20-22(23)24/h3,5-8,11-16,19,21,25H,2,4,9-10,17-18,20H2,1H3,(H,23,24)/b7-5-,8-6-,13-11-,14-12-,15-3-,19-16+/t21-/m0/s1
InChIKeyBNHQALRBDJVUQB-YTQNUIGOSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - PubMed (23919613)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoic acid (CHEBI:136113) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoic acid (CHEBI:136113) has role mouse metabolite (CHEBI:75771)
(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoic acid (CHEBI:136113) is a docosanoid (CHEBI:131863)
(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoic acid (CHEBI:136113) is a hydroperoxy polyunsaturated fatty acid (CHEBI:189832)
(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoic acid (CHEBI:136113) is a long-chain fatty acid (CHEBI:15904)
(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoic acid (CHEBI:136113) is conjugate acid of (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoate (CHEBI:133795)
Incoming Relation(s)
(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoate (CHEBI:133795) is conjugate base of (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoic acid (CHEBI:136113)
IUPAC Name 
(4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosa-4,7,10,13,15,19-hexaenoic acid
Synonyms  Source
(4Z,7Z,10Z,13Z,15E,17S,19Z)-hydroperoxydocosahexaenoic acidChEBI
(17S)-HPDHAChEBI
(17S)-hydroperoxy-(4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acidChEBI
17S-hydroperoxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acidLIPID MAPS
17S-HpDHALIPID MAPS
17(S)-Hp-DHASUBMITTER
Manual XrefsDatabases
LMFA04000051LIPID MAPS
CPD66-80MetaCyc
Registry NumbersSources
Reaxys:14339389Reaxys
Citations