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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoic acid
ChEBI ID CHEBI:136113
ChEBI ASCII Name (4Z,7Z,10Z,13Z,15E,17S,19Z)-17-hydroperoxydocosahexaenoic acid
Definition A docosanoid that is (4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid carrying a hydroperoxy substituent at position 17S.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Bijay
Secondary ChEBI IDs CHEBI:138639
Supplier Information No supplier information found for this compound.
Download Molfile XML SDF
Formula C22H32O4
Net Charge 0
Average Mass 360.488
Monoisotopic Mass 360.23006
InChI InChI=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
InChIKey BNHQALRBDJVUQB-YTQNUIGOSA-N
SMILES OC(CC/C=C\C/C=C\C/C=C\C/C=C\C=C\[C@H](C/C=C\CC)OO)=O
Metabolite of Species Details
Mus musculus (NCBI:txid10090) See: PubMed
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): mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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 Sources
(17S)-HPDHA ChEBI
(17S)-HPDoHE ChEBI
(17S)-hydroperoxy-(4Z,7Z,10Z,13Z,15E,19Z)-docosahexaenoic acid ChEBI
(4Z,7Z,10Z,13Z,15E,17S,19Z)-hydroperoxydocosahexaenoic acid ChEBI
17(S)-Hp-DHA SUBMITTER
17S-HpDHA LIPID MAPS
17S-hydroperoxy-4Z,7Z,10Z,13Z,15E,19Z-docosahexaenoic acid LIPID MAPS
Manual Xrefs Databases
CPD66-80 MetaCyc
LMFA04000051 LIPID MAPS
View more database links
Registry Number Type Source
14339389 Reaxys Registry Number Reaxys
Citations Types Sources
19324874 PubMed citation Europe PMC
23919613 PubMed citation Europe PMC
Last Modified
24 January 2023