EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:136536 - (4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoate

Default Structure
ChEBI IDCHEBI:136536
ChEBI Name(4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoate
Stars
ASCII Name(4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoate
DefinitionA dihydroxydocosahexaenoate that is the conjugate base of (4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified8 June 2017
Submitternhn
DownloadsMolfile
FormulaC22H31O4
Net Charge-1
Average Mass359.486
Monoisotopic Mass359.22278
SMILESC[C@H](O)/C=C\C/C=C\C[C@@H](O)/C=C/C=C\C/C=C\C/C=C\CCC(=O)[O-]
InChIInChI=1S/C22H32O4/c1-20(23)16-12-10-11-14-18-21(24)17-13-8-6-4-2-3-5-7-9-15-19-22(25)26/h2-3,6-9,11-14,16-17,20-21,23-24H,4-5,10,15,18-19H2,1H3,(H,25,26)/p-1/b3-2-,8-6-,9-7-,14-11-,16-12-,17-13+/t20-,21-/m0/s1
InChIKeyFRJZMMUVPROLHN-XEGNPPHTSA-M
ChEBI Ontology
Outgoing Relation(s)
(4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoate (CHEBI:136536) is a dihydroxydocosahexaenoate (CHEBI:136528)
(4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoate (CHEBI:136536) is conjugate base of (4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoic acid (CHEBI:137368)
(4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoate (CHEBI:136536) is enantiomer of (4Z,7Z,10Z,12E,14S,16Z,19Z,21R)-dihydroxydocosahexaenoate (CHEBI:136533)
Incoming Relation(s)
(4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoic acid (CHEBI:137368) is conjugate acid of (4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoate (CHEBI:136536)
(4Z,7Z,10Z,12E,14S,16Z,19Z,21R)-dihydroxydocosahexaenoate (CHEBI:136533) is enantiomer of (4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-dihydroxydocosahexaenoate (CHEBI:136536)
IUPAC Name 
(4Z,7Z,10Z,12E,14R,16Z,19Z,21S)-14,21-dihydroxydocosa-4,7,10,12,16,19-hexaenoate
Synonyms  Source
14R,21S-diHDHA(1−)SUBMITTER
(14R,21S)-DiHDoHE(1−)ChEBI
UniProt Name  Source
(14R,21S)-dihydroxy-(4Z,7Z,10Z,12E,16Z,19Z)-docosahexaenoateUniProt
Citations