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CHEBI:168508 - MG(18:3(6Z,9Z,12Z)/0:0/0:0)

ChEBI IDCHEBI:168508
ChEBI NameMG(18:3(6Z,9Z,12Z)/0:0/0:0)
Stars
Last Modified24 February 2022
SubmitterMetaboLights
DownloadsMolfile
FormulaC21H36O4
Net Charge0
Average Mass352.515
Monoisotopic Mass352.26136
SMILESCCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)OC[C@@H](O)CO
InChIInChI=1S/C21H36O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21(24)25-19-20(23)18-22/h6-7,9-10,12-13,20,22-23H,2-5,8,11,14-19H2,1H3/b7-6-,10-9-,13-12-/t20-/m0/s1
InChIKeyXQBHBEXBUZDCRY-FFXVNFNPSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
ChEBI Ontology
Outgoing Relation(s)
MG(18:3(6Z,9Z,12Z)/0:0/0:0) (CHEBI:168508) is a 1-acyl-sn-glycerol (CHEBI:64683)
MG(18:3(6Z,9Z,12Z)/0:0/0:0) (CHEBI:168508) is a polyunsaturated fatty ester (CHEBI:145039)
IUPAC Name 
[(2S)-2,3-dihydroxypropyl] (6Z,9Z,12Z)-octadeca-6,9,12-trienoate
Manual XrefsDatabases
24765788ChemSpider
HMDB0011569HMDB