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CHEBI:84418 - 1-palmitoleoyl-2-stearoyl-sn-glycerol

ChEBI IDCHEBI:84418
ChEBI Name1-palmitoleoyl-2-stearoyl-sn-glycerol
Stars
ASCII Name1-palmitoleoyl-2-stearoyl-sn-glycerol
DefinitionA 1,2-diacyl-sn-glycerol in which the 1- and 2-acyl groups are specified as palmitoleoyl and stearoyl respectively.
Last Modified23 October 2015
Submitternamrata
DownloadsMolfile
FormulaC37H70O5
Net Charge0
Average Mass594.962
Monoisotopic Mass594.52233
SMILESCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC
InChIInChI=1S/C37H70O5/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(40)42-35(33-38)34-41-36(39)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16,35,38H,3-13,15,17-34H2,1-2H3/b16-14-/t35-/m0/s1
InChIKeySPBROLJVHYTNGF-BSNNDZOISA-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-palmitoleoyl-2-stearoyl-sn-glycerol (CHEBI:84418) has functional parent octadecanoic acid (CHEBI:28842)
1-palmitoleoyl-2-stearoyl-sn-glycerol (CHEBI:84418) has functional parent palmitoleic acid (CHEBI:28716)
1-palmitoleoyl-2-stearoyl-sn-glycerol (CHEBI:84418) has role mouse metabolite (CHEBI:75771)
1-palmitoleoyl-2-stearoyl-sn-glycerol (CHEBI:84418) is a 1,2-diacyl-sn-glycerol (CHEBI:17815)
IUPAC Name 
(2S)-1-[(9Z)-hexadec-9-enoyloxy]-3-hydroxypropan-2-yl octadecanoate
Synonyms  Source
1-(9Z-hexadecenoyl)-2-octadecanoyl-sn-glycerolChEBI
DG(16:1/18:0/0:0)LIPID MAPS
DG(16:1(9Z)/18:0/0:0)[iso2]LIPID MAPS
Diacylglycerol(16:1w7/18:0)HMDB
Diacylglycerol(16:1/18:0)HMDB
DAG(34:1)HMDB
Manual XrefsDatabases
LMGL02010023LIPID MAPS
HMDB0007129HMDB