EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:77225 - all-cis-docosa-7,10,13,16-tetraenoate

Default Structure
ChEBI IDCHEBI:77225
ChEBI Nameall-cis-docosa-7,10,13,16-tetraenoate
Stars
ASCII Nameall-cis-docosa-7,10,13,16-tetraenoate
DefinitionA polyunsaturated fatty acid anion that is the conjugate base of all-cis-docosa-7,10,13,16-tetraenoic acid, obtained by deprotonation of the carboxy group; major species at pH 7.3.
Last Modified8 November 2018
Submitterlaimo
DownloadsMolfile
FormulaC22H35O2
Net Charge-1
Average Mass331.520
Monoisotopic Mass331.26425
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)[O-]
InChIInChI=1S/C22H36O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22(23)24/h6-7,9-10,12-13,15-16H,2-5,8,11,14,17-21H2,1H3,(H,23,24)/p-1/b7-6-,10-9-,13-12-,16-15-
InChIKeyTWSWSIQAPQLDBP-DOFZRALJSA-M
Species of MetaboliteComponentSourceComments
Homo sapiens (ncbitaxon:9606) - PubMed (21886157)
ChEBI Ontology
Outgoing Relation(s)
all-cis-docosa-7,10,13,16-tetraenoate (CHEBI:77225) is a (7Z,10Z,13Z,16Z)-docosatetraenoyl derivative (CHEBI:149498)
all-cis-docosa-7,10,13,16-tetraenoate (CHEBI:77225) is a docosatetraenoate (CHEBI:78069)
all-cis-docosa-7,10,13,16-tetraenoate (CHEBI:77225) is a long-chain fatty acid anion (CHEBI:57560)
all-cis-docosa-7,10,13,16-tetraenoate (CHEBI:77225) is a polyunsaturated fatty acid anion (CHEBI:76567)
all-cis-docosa-7,10,13,16-tetraenoate (CHEBI:77225) is conjugate base of all-cis-docosa-7,10,13,16-tetraenoic acid (CHEBI:53487)
Incoming Relation(s)
1a,1b-dihomo-PGF2alpha(1-) (CHEBI:747141) has functional parent all-cis-docosa-7,10,13,16-tetraenoate (CHEBI:77225)
all-cis-docosa-7,10,13,16-tetraenoic acid (CHEBI:53487) is conjugate acid of all-cis-docosa-7,10,13,16-tetraenoate (CHEBI:77225)
IUPAC Name 
(7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Synonyms  Source
adrenateChEBI
C22:4(ω-6)(1−)SUBMITTER
UniProt Name  Source
(7Z,10Z,13Z,16Z)-docosatetraenoateUniProt