1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycerol (CHEBI:77129)

CHEBI:77129 - 1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycerol

ChEBI ID	CHEBI:77129
ChEBI Name	1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycerol
Stars
ASCII Name	1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycerol
Definition	A 1,2-diacyl-sn-glycerol in which the acyl groups at positions 1 and 2 are specified as stearoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively.
Last Modified	9 March 2017
Submitter	laimo
Downloads	Molfile

Formula	C43H72O5
Net Charge	0
Average Mass	669.044
Monoisotopic Mass	668.53798
SMILES	CC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCC(=O)O[C@@H](CO)COC(=O)CCCCCCCCCCCCCCCCC
InChI	InChI=1S/C43H72O5/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/h5,7,11,13,17,19,21-22,26,28,32,34,41,44H,3-4,6,8-10,12,14-16,18,20,23-25,27,29-31,33,35-40H2,1-2H3/b7-5-,13-11-,19-17-,22-21-,28-26-,34-32-/t41-/m0/s1
InChIKey	LBDXVTOFXXDOGH-KXYFHQNYSA-N

Roles Classification

protein kinase C agonist An agonist that selectively binds to and activates a protein kinase C receptor

calcium channel agonist Agents that increase calcium influx into calcium channels of excitable tissues.

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-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycerol (CHEBI:77129) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
	1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycerol (CHEBI:77129) has functional parent octadecanoic acid (CHEBI:28842)
	1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycerol (CHEBI:77129) has role calcium channel agonist (CHEBI:38807)
	1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycerol (CHEBI:77129) has role protein kinase C agonist (CHEBI:64018)
	1-stearoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl-sn-glycerol (CHEBI:77129) is a 1,2-diacyl-sn-glycerol (CHEBI:17815)

IUPAC Name
(2S)-1-hydroxy-3-(octadecanoyloxy)propan-2-yl (4Z,7Z,10Z,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate

Synonyms	Source
DAG 18:0/22:6(ω-3)/0:0	SUBMITTER
DG(18:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	LIPID MAPS
DG(18:0/22:6/0:0)	LIPID MAPS
1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol	LIPID MAPS
1-Stearoyl-2-docosahexaenoyl-sn-glycerol	HMDB
DG(18:0/22:6)	HMDB

UniProt Name	Source
1-octadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol	UniProt

Manual Xrefs	Databases
LMGL02010216	LIPID MAPS
HMDB0007179	HMDB

Registry Numbers	Sources
Reaxys:7612274	Reaxys

Citations