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CHEBI:136401 - 14(R),15(S)-DiHPETE

ChEBI IDCHEBI:136401
ChEBI Name14(R),15(S)-DiHPETE
Stars
ASCII Name14(R),15(S)-DiHPETE
DefinitionA bis(hydroperoxy)icosatetraenoic acid that is (5Z,8Z,10E,12E)-icosatetraenoic acid carrying two hydroperoxy substituents at positions 14 and 15 (the 14R,15S-stereoisomer).
Last Modified17 February 2022
SubmitterSteve
DownloadsMolfile
FormulaC20H32O6
Net Charge0
Average Mass368.470
Monoisotopic Mass368.21989
SMILESCCCCC[C@H](OO)[C@@H](/C=C/C=C/C=C\C/C=C\CCCC(=O)O)OO
InChIInChI=1S/C20H32O6/c1-2-3-12-15-18(25-23)19(26-24)16-13-10-8-6-4-5-7-9-11-14-17-20(21)22/h4,6-10,13,16,18-19,23-24H,2-3,5,11-12,14-15,17H2,1H3,(H,21,22)/b6-4-,9-7-,10-8+,16-13+/t18-,19+/m0/s1
InChIKeyUSYFDKIQMRDNHC-PEPUZGFWSA-N
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)
14(R),15(S)-DiHPETE (CHEBI:136401) has role human xenobiotic metabolite (CHEBI:76967)
14(R),15(S)-DiHPETE (CHEBI:136401) is a bis(hydroperoxy)icosatetraenoic acid (CHEBI:138293)
14(R),15(S)-DiHPETE (CHEBI:136401) is conjugate acid of 14(R),15(S)-DiHPETE(1−) (CHEBI:133900)
Incoming Relation(s)
14(R),15(S)-DiHPETE(1−) (CHEBI:133900) is conjugate base of 14(R),15(S)-DiHPETE (CHEBI:136401)
IUPAC Name 
(5Z,8Z,10E,12E,14R,15S)-14,15-bis(hydroperoxy)icosa-5,8,10,12-tetraenoic acid
Synonyms  Source
(14R,15S)-DiHPETEChEBI
(5Z,8Z,10E,12E,14R,15S)-14,15-bis(hydroperoxy)icosatetraenoic acidChEBI
(14R,15S)-dihydroperoxy-(5Z,8Z,10E,12E)-eicosatetraenoic acidChEBI
(5Z,8Z,10E,12E,14R,15S)-14,15-bis(hydroperoxy)eicosatetraenoic acidChEBI
(14R,15S)-dihydroperoxy-(5Z,8Z,10E,12E)-icosatetraenoic acidChEBI
Citations