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CHEBI:137345 - 13-HETE

ChEBI IDCHEBI:137345
ChEBI Name13-HETE
Stars
DefinitionA HETE that is arachidonic acid carrying a hydroxy substituent at position 13.
Last Modified21 June 2017
SubmitterSteve
DownloadsMolfile
FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILESCCCCC/C=C\C(O)/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-4-10-13-16-19(21)17-14-11-8-6-5-7-9-12-15-18-20(22)23/h6-9,13-14,16-17,19,21H,2-5,10-12,15,18H2,1H3,(H,22,23)/b8-6-,9-7-,16-13-,17-14-
InChIKeySAKQICHVWOJSNI-BWWNDVLWSA-N
Species of MetaboliteComponentSourceComments
Rattus norvegicus (ncbitaxon:10116) - PubMed (7646075)
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
rat metabolite  Any mammalian metabolite produced during a metabolic reaction in rat (Rattus norvegicus).
ChEBI Ontology
Outgoing Relation(s)
13-HETE (CHEBI:137345) has functional parent arachidonic acid (CHEBI:15843)
13-HETE (CHEBI:137345) has role rat metabolite (CHEBI:86264)
13-HETE (CHEBI:137345) is a HETE (CHEBI:36275)
13-HETE (CHEBI:137345) is a secondary allylic alcohol (CHEBI:134396)
13-HETE (CHEBI:137345) is conjugate acid of 13-HETE(1−) (CHEBI:136524)
Incoming Relation(s)
13(S)-HETE (CHEBI:137494) is a 13-HETE (CHEBI:137345)
13-HETE(1−) (CHEBI:136524) is conjugate base of 13-HETE (CHEBI:137345)
IUPAC Name 
(5Z,8Z,11Z,14Z)-13-hydroxyicosa-5,8,11,14-tetraenoic acid
Synonyms  Source
13-hydroxy-(5Z,8Z,11Z,14Z)-icosatetraenoic acidChEBI
(5Z,8Z,11Z,14Z)-13-hydroxyicosatetraenoic acidChEBI
13-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoic acidChEBI
13-Hydroxyeicosatetraenoic acidHMDB
Manual XrefsDatabases
HMDB0012567HMDB
LMFA03060104LIPID MAPS
Registry NumbersSources
CAS:151910-72-4HMDB
Citations