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CHEBI:132777 - 1-linoleoyl-2-isoheptadecanoyl-3-isopentadecanoyl-sn-glycerol

ChEBI IDCHEBI:132777
ChEBI Name1-linoleoyl-2-isoheptadecanoyl-3-isopentadecanoyl-sn-glycerol
Stars
ASCII Name1-linoleoyl-2-isoheptadecanoyl-3-isopentadecanoyl-sn-glycerol
DefinitionA triacylglycerol 50:2 in which the acyl groups at positions 1, 2 and 3 are specified as linoleoyl, isoheptadecanoyl and isopentadecanoyl respectively. It is a metabolite of the nematode Caenorhabditis elegans.
Last Modified21 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC53H98O6
Net Charge0
Average Mass831.361
Monoisotopic Mass830.73634
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](COC(=O)CCCCCCCCCCCC(C)C)OC(=O)CCCCCCCCCCCCCC(C)C
InChIInChI=1S/C53H98O6/c1-6-7-8-9-10-11-12-13-14-15-18-23-28-33-38-43-51(54)57-46-50(47-58-52(55)44-39-34-29-25-20-22-27-32-37-42-49(4)5)59-53(56)45-40-35-30-24-19-16-17-21-26-31-36-41-48(2)3/h10-11,13-14,48-50H,6-9,12,15-47H2,1-5H3/b11-10-,14-13-/t50-/m1/s1
InChIKeyZFWYFEABDJPHPI-XWMQRDAESA-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-linoleoyl-2-isoheptadecanoyl-3-isopentadecanoyl-sn-glycerol (CHEBI:132777) has role Caenorhabditis elegans metabolite (CHEBI:78804)
1-linoleoyl-2-isoheptadecanoyl-3-isopentadecanoyl-sn-glycerol (CHEBI:132777) is a triacyl-sn-glycerol (CHEBI:64615)
1-linoleoyl-2-isoheptadecanoyl-3-isopentadecanoyl-sn-glycerol (CHEBI:132777) is a triacylglycerol 50:2 (CHEBI:84662)
IUPAC Name 
(2R)-[(15-methylhexadecanoyl)oxy]-3-[(13-methyltetradecanoyl)oxy]propyl (9Z,12Z)-octadeca-9,12-dienoate
Synonyms  Source
1-[(9Z,12Z)-octadecadienoyl]-2-(15-methylhexadecanoyl)-3-(13-methyltetradecanoyl)-sn-glycerolChEBI
TAG(18:2/17:0Δ/15:0Δ)ChEBI
TG(18:2/17:0Δ/15:0Δ)ChEBI
Citations