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CHEBI:136794 - 1-(9Z-octadecenoyl)-2-(7Z,10Z,13Z-hexadecatrienoyl)-3-β-D-galactosyl-sn-glycerol

ChEBI IDCHEBI:136794
ChEBI Name1-(9Z-octadecenoyl)-2-(7Z,10Z,13Z-hexadecatrienoyl)-3-β-D-galactosyl-sn-glycerol
Stars
ASCII Name1-(9Z-octadecenoyl)-2-(7Z,10Z,13Z-hexadecatrienoyl)-3-beta-D-galactosyl-sn-glycerol
DefinitionA monogalactosyldiacylglycerol 34:4 in which the 1- and 2-acyl groups are specified as oleoyl and (7Z,10Z,13Z)-hexadecatrienoyl respectively.
Last Modified16 March 2018
Submittermwilliams
DownloadsMolfile
FormulaC43H74O10
Net Charge0
Average Mass751.055
Monoisotopic Mass750.52820
SMILESCC/C=C\C/C=C\C/C=C\CCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCCCC)CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O
InChIInChI=1S/C43H74O10/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-38(45)50-34-36(35-51-43-42(49)41(48)40(47)37(33-44)53-43)52-39(46)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h6,8,12,14,17-19,22,36-37,40-44,47-49H,3-5,7,9-11,13,15-16,20-21,23-35H2,1-2H3/b8-6-,14-12-,18-17-,22-19-/t36-,37-,40+,41+,42-,43-/m1/s1
InChIKeyULEDCQDCQAHGFD-LUKLOYDESA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708)
- PubMed (27500669)
- MetaboLights (MTBLS312)
Roles Classification
Biological Roles:
Brassica napus metabolite  Any plant metabolite that is produced by rapeseed (Brassica napus).
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1-(9Z-octadecenoyl)-2-(7Z,10Z,13Z-hexadecatrienoyl)-3-β-D-galactosyl-sn-glycerol (CHEBI:136794) has role Brassica napus metabolite (CHEBI:140165)
1-(9Z-octadecenoyl)-2-(7Z,10Z,13Z-hexadecatrienoyl)-3-β-D-galactosyl-sn-glycerol (CHEBI:136794) is a monogalactosyldiacylglycerol 34:4 (CHEBI:138899)
IUPAC Name 
(2S)-3-(β-D-galactopyranosyloxy)-2-{[(7Z,10Z,13Z)-hexadeca-7,10,13-trienoyl]oxy}propyl (9Z)-octadec-9-enoate
Synonyms  Source
1-18:1-2-16:3-monogalactosyldiacylglycerolMetaCyc
18:1-16:3-MGDGMetaCyc
MGDG(18:1(9Z)/16:3(7Z,10Z,13Z))ChEBI
1-oleoyl-2-(7Z,10Z,13Z-hexadecatrienoyl)-3-O-β-D-galactosyl-sn-glycerolChEBI
monogalactosyldiacylglycerol 18:1(9Z)/16:3(7Z,10Z,13Z)ChEBI
Manual XrefsDatabases
CPD-8079MetaCyc