EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:197070 - MGDG(20:5(5Z,8Z,11Z,14Z,17Z)/16:3(7Z,10Z,13Z))

Default Structure
ChEBI IDCHEBI:197070
ChEBI NameMGDG(20:5(5Z,8Z,11Z,14Z,17Z)/16:3(7Z,10Z,13Z))
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC45H70O10
Net Charge0
Average Mass771.045
Monoisotopic Mass770.49690
SMILESCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)C(O)C1O)OC(=O)CCCCC/C=C\C/C=C\C/C=C\CC
InChIInChI=1S/C45H70O10/c1-3-5-7-9-11-13-15-17-18-19-20-22-23-25-27-29-31-33-40(47)52-36-38(37-53-45-44(51)43(50)42(49)39(35-46)55-45)54-41(48)34-32-30-28-26-24-21-16-14-12-10-8-6-4-2/h5-8,11-14,17-18,20-22,24-25,27,38-39,42-46,49-51H,3-4,9-10,15-16,19,23,26,28-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,18-17-,22-20-,24-21-,27-25-/t38-,39-,42+,43?,44?,45-/m1/s1
InChIKeyULTARGKZTWTVIS-NYKSPWEXSA-N
Species of MetaboliteComponentSourceComments
Cannabis sativa (ncbitaxon:3483) inflorescence (BTO:0000628) MetaboLights (MTBLS6032) Strain: Cannabis sativa var. DMG265
ChEBI Ontology
Outgoing Relation(s)
MGDG(20:5(5Z,8Z,11Z,14Z,17Z)/16:3(7Z,10Z,13Z)) (CHEBI:197070) is a glycosylglycerol derivative (CHEBI:63427)
IUPAC Name 
[(2S)-2-[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxy-3-[(2R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoate
Manual XrefsDatabases
LMGL05010017LIPID MAPS