EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:84435 - 1-stearoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol

ChEBI IDCHEBI:84435
ChEBI Name1-stearoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
Stars
ASCII Name1-stearoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol
DefinitionA 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as stearoyl and 7Z,10Z,13Z,16Z-docosatetraenoyl respectively.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC43H76O5
Net Charge0
Average Mass673.076
Monoisotopic Mass672.56928
SMILESCCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C43H76O5/c1-3-5-7-9-11-13-15-17-19-20-21-22-24-26-28-30-32-34-36-38-43(46)48-41(39-44)40-47-42(45)37-35-33-31-29-27-25-23-18-16-14-12-10-8-6-4-2/h11,13,17,19,21-22,26,28,41,44H,3-10,12,14-16,18,20,23-25,27,29-40H2,1-2H3/b13-11-,19-17-,22-21-,28-26-/t41-/m0/s1
InChIKeyVKBBGCKYUQMBMB-RFMQAYKLSA-N
Species of MetaboliteComponentSourceComments
Mus musculus (ncbitaxon:10090) - MetaboLights (MTBLS143)
Roles Classification
Biological Roles:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
Saccharomyces cerevisiae metabolite  Any fungal metabolite produced during a metabolic reaction in Baker's yeast (Saccharomyces cerevisiae ).
human metabolite  Any mammalian metabolite produced during a metabolic reaction in humans (Homo sapiens).
ChEBI Ontology
Outgoing Relation(s)
1-stearoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol (CHEBI:84435) has functional parent all-cis-docosa-7,10,13,16-tetraenoic acid (CHEBI:53487)
1-stearoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol (CHEBI:84435) has functional parent octadecanoic acid (CHEBI:28842)
1-stearoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol (CHEBI:84435) has role mouse metabolite (CHEBI:75771)
1-stearoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerol (CHEBI:84435) is a 1,2-diacyl-sn-glycerol (CHEBI:17815)
IUPAC Name 
(2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl (7Z,10Z,13Z,16Z)-docosa-7,10,13,16-tetraenoate
Synonyms  Source
1-octadecanoyl-2-(7Z,10Z,13Z,16Z-docosatetraenoyl)-sn-glycerolChEBI
DG(18:0/22:4(7Z,10Z,13Z,16Z)/0:0)LIPID MAPS
DG(18:0/22:4/0:0)LIPID MAPS
DAG(40:4)HMDB
DAG(18:0/22:4w6)HMDB
Diacylglycerol(18:0/22:4n6)HMDB
Manual XrefsDatabases
LMGL02010194LIPID MAPS
HMDB0007176HMDB