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CHEBI:57448 - (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoate

ChEBI IDCHEBI:57448
ChEBI Name(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoate
Stars
ASCII Name(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoate
DefinitionConjugate base of (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid arising from deprotonation of the carboxylic acid function.
Last Modified15 February 2024
DownloadsMolfile
FormulaC20H33O5
Net Charge-1
Average Mass353.479
Monoisotopic Mass353.23335
SMILESCCCCC/C=C\C[C@@H](O)C(O)/C=C/C(O)C/C=C\CCCC(=O)[O-]
InChIInChI=1S/C20H34O5/c1-2-3-4-5-6-10-13-18(22)19(23)16-15-17(21)12-9-7-8-11-14-20(24)25/h6-7,9-10,15-19,21-23H,2-5,8,11-14H2,1H3,(H,24,25)/p-1/b9-7-,10-6-,16-15+/t17?,18-,19?/m1/s1
InChIKeyWPLPEZUSILBTGP-LTNYKQEOSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - DOI (10.1038/nbt.2488)
Roles Classification
Biological Role:
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoate (CHEBI:57448) has role human metabolite (CHEBI:77746)
(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoate (CHEBI:57448) is a ethanediol derivative (CHEBI:140594)
(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoate (CHEBI:57448) is a hydroxy monocarboxylic acid anion (CHEBI:36059)
(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoate (CHEBI:57448) is conjugate base of (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid (CHEBI:15630)
Incoming Relation(s)
(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid (CHEBI:15630) is conjugate acid of (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoate (CHEBI:57448)
IUPAC Name 
(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoate
UniProt Name  Source
(5Z,9E,14Z)-(8ξ,11ξ,12S)-8,11,12-trihydroxyicosa-5,9,14-trienoateUniProt