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CHEBI:132776 - 1-oleoyl-2-isononadecanoyl-3-pentadecanoyl-sn-glycerol

ChEBI IDCHEBI:132776
ChEBI Name1-oleoyl-2-isononadecanoyl-3-pentadecanoyl-sn-glycerol
Stars
ASCII Name1-oleoyl-2-isononadecanoyl-3-pentadecanoyl-sn-glycerol
DefinitionA triacylglycerol 52:1 in which the acyl groups at positions 1, 2 and 3 are specified as oleoyl, isononadecanoyl and pentadecanoyl respectively. It is a metabolite of the nematode Caenorhabditis elegans.
Last Modified21 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC55H104O6
Net Charge0
Average Mass861.431
Monoisotopic Mass860.78329
SMILESCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCCCC)OC(=O)CCCCCCCCCCCCCCCC(C)C
InChIInChI=1S/C55H104O6/c1-5-7-9-11-13-15-17-19-20-23-27-31-35-39-43-47-54(57)60-50-52(49-59-53(56)46-42-38-34-30-26-18-16-14-12-10-8-6-2)61-55(58)48-44-40-36-32-28-24-21-22-25-29-33-37-41-45-51(3)4/h19-20,51-52H,5-18,21-50H2,1-4H3/b20-19-/t52-/m0/s1
InChIKeyFDNIIQJHYMECQD-PTHIQAHCSA-N
Species of MetaboliteComponentSourceComments
Caenorhabditis elegans (ncbitaxon:6239) - PubMed (23475189)
Roles Classification
Biological Role:
Caenorhabditis elegans metabolite  A nematode metabolite produced by Caenorhabditis elegans.
ChEBI Ontology
Outgoing Relation(s)
1-oleoyl-2-isononadecanoyl-3-pentadecanoyl-sn-glycerol (CHEBI:132776) has role Caenorhabditis elegans metabolite (CHEBI:78804)
1-oleoyl-2-isononadecanoyl-3-pentadecanoyl-sn-glycerol (CHEBI:132776) is a triacyl-sn-glycerol (CHEBI:64615)
1-oleoyl-2-isononadecanoyl-3-pentadecanoyl-sn-glycerol (CHEBI:132776) is a triacylglycerol 52:1 (CHEBI:90302)
IUPAC Name 
(2R)-[(17-methyloctadecanoyl)oxy]-3-(pentadecanoyloxy)propyl (9Z)-octadec-9-enoate
Synonyms  Source
1-[(9Z)-octadecenoyl]-2-(17-methyloctadecanoyl)-3-pentadecanoyl-sn-glycerolChEBI
TG(18:1/19:0Δ/15:0)ChEBI
TAG(18:1/19:0Δ/15:0)ChEBI
Citations