CHEBI:15630 - (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid
ChEBI ID CHEBI:15630
ChEBI ASCII Name (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid
Definition A hydroxy monocarboxylic acid consisting of icosa-5,9,14-trienoic acid having three hydroxy groups placed at the 8-, 11- and 12-positions.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:253, CHEBI:10922, CHEBI:18598
Supplier Information ChemicalBook:CB9733804, eMolecules:535136, Selleckchem:bay-11-7082-bay-11-7821, ZINC000002568458
Download Molfile XML SDF
Formula C20H34O5
Net Charge 0
Average Mass 354.48096
Monoisotopic Mass 354.24062
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)/b9-7-,10-6-,16-15+/t17?,18-,19?/m1/s1
InChIKey WPLPEZUSILBTGP-LTNYKQEOSA-N
SMILES CCCCC\C=C/C[C@@H](O)C(O)\C=C\C(O)C\C=C/CCCC(O)=O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing (5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid (CHEBI:15630) has functional parent (5Z,9E,14Z)-icosa-5,9,14-trienoic acid (CHEBI:36037)
(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid (CHEBI:15630) is a hydroxy monocarboxylic acid (CHEBI:35868)
(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)
Incoming (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)
IUPAC Name
(5Z,9E,12S,14Z)-8,11,12-trihydroxyicosa-5,9,14-trienoic acid
Synonyms Sources
(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoate KEGG COMPOUND
(5Z,9E,14Z)-(8xi,11xi,12S)-8,11,12-Trihydroxyicosa-5,9,14-trienoic acid KEGG COMPOUND
Manual Xref Database
C04843 KEGG COMPOUND
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Last Modified
23 December 2018