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

ChEBI IDCHEBI:136594
ChEBI Name(4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid
Stars
ASCII Name(4Z,7Z,11Z,13Z,15E,17S)-10,17-bis(hydroperoxy)docosapentaenoic acid
DefinitionA hydroperoxydocosapentaenoic acid that is (4Z,7Z,11Z,13Z,15E)-docosapentaenoic acid carrying two hydroperoxy substituents at positions 10 and 17.
Last Modified18 February 2022
SubmitterSteve
DownloadsMolfile
FormulaC22H34O6
Net Charge0
Average Mass394.508
Monoisotopic Mass394.23554
SMILESCCCCC[C@@H](/C=C/C=C\C=C/C(C/C=C\C/C=C\CCC(=O)O)OO)OO
InChIInChI=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
InChIKeyOBXRYBLVMCAPKM-WRMGERKZSA-N
Species of MetaboliteComponentSourceComments
Homo Sapiens (ncbitaxon:9606) - PubMed (19324874)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
human xenobiotic metabolite  Any human metabolite produced by metabolism of a xenobiotic compound in humans.
ChEBI Ontology
Outgoing Relation(s)
(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 hydroperoxydocosapentaenoic acid (CHEBI:189823)
(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 Relation(s)
(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  Source
(10,17S)-bis(hydroperoxy)-(4Z,7Z,11Z,13Z,15E)-docosapentaenoic acidChEBI
(10,17S)-DiHPDoPEn-6ChEBI
(10,17S)-dihydroperoxy-(4Z,7Z,11Z,13Z,15E)-docosapentaenoic acidChEBI
Citations