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CHEBI:140196 - (7S,14S)-bis(hydroperoxy)-(4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid

ChEBI IDCHEBI:140196
ChEBI Name(7S,14S)-bis(hydroperoxy)-(4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid
Stars
ASCII Name(7S,14S)-bis(hydroperoxy)-(4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid
DefinitionA docosanoid that is (4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid carrying two hydroperoxy substituents at the 7S- and 14S-positions.
Secondary ChEBI IDCHEBI:140247
Last Modified24 January 2023
SubmitterBijay, Steve
DownloadsMolfile
FormulaC22H32O6
Net Charge0
Average Mass392.492
Monoisotopic Mass392.21989
SMILESCC/C=C\C/C=C\C[C@@H](/C=C/C=C\C=C\[C@H](C/C=C\CCC(=O)O)OO)OO
InChIInChI=1S/C22H32O6/c1-2-3-4-5-6-10-15-20(27-25)16-11-7-8-12-17-21(28-26)18-13-9-14-19-22(23)24/h3-4,6-13,16-17,20-21,25-26H,2,5,14-15,18-19H2,1H3,(H,23,24)/b4-3-,8-7-,10-6-,13-9-,16-11+,17-12+/t20-,21+/m0/s1
InChIKeyLWOCSKALTQGXLZ-VDBKHXQVSA-N
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (19103881)
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)
(7S,14S)-bis(hydroperoxy)-(4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid (CHEBI:140196) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
(7S,14S)-bis(hydroperoxy)-(4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid (CHEBI:140196) has role human xenobiotic metabolite (CHEBI:76967)
(7S,14S)-bis(hydroperoxy)-(4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid (CHEBI:140196) is a docosanoid (CHEBI:131863)
(7S,14S)-bis(hydroperoxy)-(4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid (CHEBI:140196) is a hydroperoxy polyunsaturated fatty acid (CHEBI:189832)
(7S,14S)-bis(hydroperoxy)-(4Z,8E,10Z,12E,16Z,19Z)-docosahexaenoic acid (CHEBI:140196) is a long-chain fatty acid (CHEBI:15904)
IUPAC Name 
(4Z,7S,8E,10Z,12E,14S,16Z,19Z)-7,14-bis(hydroperoxy)docosa-4,8,10,12,16,19-hexaenoic acid
Synonyms  Source
7(S),14(S)-diHpDHAChEBI
(4Z,7S,8E,10Z,12E,14S,16Z,19Z)-7,14-bis(hydroperoxy)docosahexaenoic acidChEBI
7(S),14(S)-diHp-DHASUBMITTER
Citations