CHEBI:136594 - (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid

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ChEBI Name (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid
ChEBI ID CHEBI:136594
ChEBI ASCII Name (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid
Definition A docosanoid that is (4Z,7Z,11Z,13Z,15E)-docosapentaenoic acid carrying two hydroperoxy substituents at positions 10 and 17.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C22H34O6
Net Charge 0
Average Mass 394.503
Monoisotopic Mass 394.23554
InChI InChI=1S/C22H34O6/c1-2-3-10-15-20(27-25)17-12-8-9-13-18-21(28-26)16-11-6-4-5-7-14-19-22(23)24/h5-9,11-13,17-18,20-21,25-26H,2-4,10,14-16,19H2,1H3,(H,23,24)/b7-5-,9-8-,11-6-,17-12+,18-13-/t20-,21?/m0/s1
InChIKey OBXRYBLVMCAPKM-WRMGERKZSA-N
SMILES C(/C=C\C=C/C(C/C=C\C/C=C\CCC(O)=O)OO)=C\[C@H](CCCCC)OO
Metabolite of Species Details
Homo Sapiens (NCBI:txid9606) 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): human xenobiotic metabolite
Any human metabolite produced by metabolism of a xenobiotic compound in humans.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid (CHEBI:136594) has functional parent (4Z,7Z,10Z,13Z,16Z)-docosa-4,7,10,13,16-pentaenoic acid (CHEBI:65136)
(4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid (CHEBI:136594) has role human xenobiotic metabolite (CHEBI:76967)
(4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid (CHEBI:136594) is a docosanoid (CHEBI:131863)
(4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid (CHEBI:136594) is a hydroperoxy fatty acid (CHEBI:64009)
(4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid (CHEBI:136594) is a lipid hydroperoxide (CHEBI:61051)
(4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid (CHEBI:136594) is a long-chain fatty acid (CHEBI:15904)
(4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid (CHEBI:136594) is conjugate acid of (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoate (CHEBI:133949)
Incoming (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoate (CHEBI:133949) is conjugate base of (4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid (CHEBI:136594)
IUPAC Name
(4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosa-4,7,11,13,15-pentaenoic acid
Synonyms Sources
(10,17S)-bis(hydroperoxy)-(4Z,7Z,11Z,13Z,15E)-docosapentaenoic acid ChEBI
(10,17S)-DiHPDoPEn-6 ChEBI
(10,17S)-dihydroperoxy-(4Z,7Z,11Z,13Z,15E)-docosapentaenoic acid ChEBI
Citation Waiting for Citations Type Source
19324874 PubMed citation Europe PMC
Last Modified
20 March 2017