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

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ChEBI Name (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoate
ChEBI ID CHEBI:57448
ChEBI ASCII Name (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoate
Definition Conjugate base of (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid arising from deprotonation of the carboxylic acid function.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information ChemicalBook:CB6284800, eMolecules:478929, Selleckchem:Decitabine, ZINC000016929327
Download Molfile XML SDF
Formula C20H33O5
Net Charge -1
Average Mass 353.47300
Monoisotopic Mass 353.23280
InChI InChI=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
InChIKey WPLPEZUSILBTGP-LTNYKQEOSA-M
SMILES CCCCC\C=C/C[C@@H](O)C(O)\C=C\C(O)C\C=C/CCCC([O-])=O
Metabolite of Species Details
Homo sapiens (NCBI:txid9606) See: DOI
Roles Classification
Biological Role(s): human metabolite
Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (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 (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
Synonym Source
(5Z,9E,14Z)-(8ξ,11ξ,12S)-8,11,12-trihydroxyicosa-5,9,14-trienoate UniProt
Last Modified
15 February 2024