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 ZINC000030729497 Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search 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