1-palmitoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycerol (CHEBI:82949)

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CHEBI:82949 - 1-palmitoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycerol

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ChEBI ID	CHEBI:82949
ChEBI Name	1-palmitoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycerol
Stars
ASCII Name	1-palmitoyl-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 palmitoyl and (4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl respectively.
Last Modified	23 October 2015
Submitter	AnneNiknejad
Downloads	Molfile

Formula	C41H68O5
Net Charge	0
Average Mass	640.990
Monoisotopic Mass	640.50668
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)CCCCCCCCCCCCCCC
InChI	InChI=1S/C41H68O5/c1-3-5-7-9-11-13-15-17-18-19-20-21-22-24-26-28-30-32-34-36-41(44)46-39(37-42)38-45-40(43)35-33-31-29-27-25-23-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,20-21,24,26,30,32,39,42H,3-4,6,8-10,12,14-16,19,22-23,25,27-29,31,33-38H2,1-2H3/b7-5-,13-11-,18-17-,21-20-,26-24-,32-30-/t39-/m0/s1
InChIKey	BXVYQJJBMVVALQ-VVSMSMGFSA-N

Roles Classification

Biological Roles:

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-palmitoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycerol (CHEBI:82949) has functional parent all-cis-docosa-4,7,10,13,16,19-hexaenoic acid (CHEBI:28125)
	1-palmitoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycerol (CHEBI:82949) has functional parent hexadecanoic acid (CHEBI:15756)
	1-palmitoyl-2-[(4Z,7Z,10Z,13Z,16Z,19Z)-docosahexaenoyl]-sn-glycerol (CHEBI:82949) is a 1,2-diacyl-sn-glycerol (CHEBI:17815)

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

Synonyms	Source
1-palmitoyl-2-docosahexaenoyl-sn-glycerol	ChEBI
DG(16:0/22:6/0:0)	LIPID MAPS
DG(16:0/22:6(4Z,7Z,10Z,13Z,16Z,19Z)/0:0)	LIPID MAPS
1-hexadecanoyl-2-(4Z,7Z,10Z,13Z,16Z,19Z-docosahexaenoyl)-sn-glycerol	LIPID MAPS
DAG(16:0/22:6n3)	HMDB
DG(16:0/22:6)	HMDB

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

Manual Xrefs	Databases
LMGL02010162	LIPID MAPS
HMDB0007121	HMDB

Citations