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CHEBI:63994 - 16-HETE

ChEBI IDCHEBI:63994
ChEBI Name16-HETE
Stars
DefinitionA HETE that consists of arachidonic acid bearing an additional hydroxy substituent at position 16.
Last Modified9 August 2017
Submittermwilliams
DownloadsMolfile
FormulaC20H32O3
Net Charge0
Average Mass320.473
Monoisotopic Mass320.23514
SMILESCCCCC(O)/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)O
InChIInChI=1S/C20H32O3/c1-2-3-16-19(21)17-14-12-10-8-6-4-5-7-9-11-13-15-18-20(22)23/h4-5,8-11,14,17,19,21H,2-3,6-7,12-13,15-16,18H2,1H3,(H,22,23)/b5-4-,10-8-,11-9-,17-14-
InChIKeyJEKNPVYFNMZRJG-UFINWASNSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
16-HETE (CHEBI:63994) has functional parent icosa-5,8,11,14-tetraenoic acid (CHEBI:36306)
16-HETE (CHEBI:63994) is a HETE (CHEBI:36275)
16-HETE (CHEBI:63994) is a secondary allylic alcohol (CHEBI:134396)
16-HETE (CHEBI:63994) is conjugate acid of 16-HETE(1−) (CHEBI:132019)
Incoming Relation(s)
16(R)-HETE (CHEBI:34162) is a 16-HETE (CHEBI:63994)
16(S)-HETE (CHEBI:138110) is a 16-HETE (CHEBI:63994)
16-HETE(1−) (CHEBI:132019) is conjugate base of 16-HETE (CHEBI:63994)
IUPAC Name 
(5Z,8Z,11Z,14Z)-16-hydroxyicosa-5,8,11,14-tetraenoic acid
Synonyms  Source
16-hydroxy-5Z,8Z,11Z,14Z-eicosatetraenoic acidChEBI
(5Z,8Z,11Z,14Z)-16-hydroxyeicosa-5,8,11,14-tetraenoic acidChEBI
(all-cis)-16-hydroxy-5,8,11,14-eicosatetraenoic acidChEBI
(all-cis)-16-hydroxy-5,8,11,14-icosatetraenoic acidChEBI
16-hydroxyarachidonic acidChEBI
Registry NumbersSources
Reaxys:9285734Reaxys
CAS:128914-46-5ChemIDplus