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CHEBI:169499 - MGDG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))

ChEBI IDCHEBI:169499
ChEBI NameMGDG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H74O10
Net Charge0
Average Mass775.077
Monoisotopic Mass774.52820
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)OC(=O)CCCCCCC/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C45H74O10/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43?,44?,45-/m1/s1
InChIKeyQUZHZFAQJATMCA-NYFMCUGMSA-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)
MGDG(18:3(9Z,12Z,15Z)/18:3(9Z,12Z,15Z)) (CHEBI:169499) is a glycosylglycerol derivative (CHEBI:63427)
IUPAC Name 
[(2S)-2-[(9Z,12Z,15Z)-octadeca-9,12,15-trienoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Manual XrefsDatabases
LMGL05010001LIPID MAPS
4696840ChemSpider