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CHEBI:136802 - 1-α-linolenoyl-2-hexadecanoylphosphatidylglycerol

ChEBI IDCHEBI:136802
ChEBI Name1-α-linolenoyl-2-hexadecanoylphosphatidylglycerol
Stars
ASCII Name1-alpha-linolenoyl-2-hexadecanoylphosphatidylglycerol
DefinitionA phosphatidylglycerol (18:3/16:0) in which the 1- and 2-acyl groups are specified as α-linolenoyl and hexadecanoyl respectoively.
Last Modified13 April 2018
Submittermwilliams
DownloadsMolfile
FormulaC40H73O10P
Net Charge0
Average Mass744.988
Monoisotopic Mass744.49414
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OCC(COP(=O)(O)OCC(O)CO)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5,7,11,13,17-18,37-38,41-42H,3-4,6,8-10,12,14-16,19-36H2,1-2H3,(H,45,46)/b7-5-,13-11-,18-17-
InChIKeyLZCSTAJDQULBAS-SVNQLWEDSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708)
- MetaboLights (MTBLS312)
- PubMed (27500669)
Roles Classification
Biological Roles:
Brassica napus metabolite  Any plant metabolite that is produced by rapeseed (Brassica napus).
Escherichia coli metabolite  Any bacterial metabolite produced during a metabolic reaction in Escherichia coli.
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1-α-linolenoyl-2-hexadecanoylphosphatidylglycerol (CHEBI:136802) has functional parent hexadecanoic acid (CHEBI:15756)
1-α-linolenoyl-2-hexadecanoylphosphatidylglycerol (CHEBI:136802) has functional parent α-linolenic acid (CHEBI:27432)
1-α-linolenoyl-2-hexadecanoylphosphatidylglycerol (CHEBI:136802) has role Brassica napus metabolite (CHEBI:140165)
1-α-linolenoyl-2-hexadecanoylphosphatidylglycerol (CHEBI:136802) is a phosphatidylglycerol (18:3/16:0) (CHEBI:136801)
IUPAC Name 
3-{[(2,3-dihydroxypropoxy)(hydroxy)phosphoryl]oxy}-2-(hexadecanoyloxy)propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Synonyms  Source
1-[(9Z,12Z,15Z)-octadecatrienoyl]-2-hexadecanoyglycero-3-phospho-1'-glycerolChEBI
phosphatidylglycerol (18:3(9Z,12Z,15Z)/16:0)ChEBI
PG(18:3(9Z,12Z,15Z)/16:0)ChEBI
1-α-linolenoyl-2-palmitoylphosphatidylglycerolChEBI