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CHEBI:136797 - 1-(9Z,12Z,15Z-octadecatrienoyl)-2-hexadecanoyl-3-[α-D-galactosyl-(1→6)-β-D-galactosyl]-sn-glycerol

ChEBI IDCHEBI:136797
ChEBI Name1-(9Z,12Z,15Z-octadecatrienoyl)-2-hexadecanoyl-3-[α-D-galactosyl-(1→6)-β-D-galactosyl]-sn-glycerol
Stars
ASCII Name1-(9Z,12Z,15Z-octadecatrienoyl)-2-hexadecanoyl-3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-sn-glycerol
DefinitionA 3-[α-D-galactosyl-(1→6)-β-D-galactosyl]-1,2-diacyl-sn-glycerol in which the 1- and 2-acyl groups are specified as α-linolenoyl and hexadecanoyl respectively.
Last Modified16 March 2018
Submittermwilliams
DownloadsMolfile
FormulaC49H86O15
Net Charge0
Average Mass915.212
Monoisotopic Mass914.59667
SMILESCC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCCCCCCCCCC
InChIInChI=1S/C49H86O15/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-40(51)59-34-37(62-41(52)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2)35-60-48-47(58)45(56)43(54)39(64-48)36-61-49-46(57)44(55)42(53)38(33-50)63-49/h5,7,11,13,17-18,37-39,42-50,53-58H,3-4,6,8-10,12,14-16,19-36H2,1-2H3/b7-5-,13-11-,18-17-/t37-,38-,39-,42+,43+,44+,45+,46-,47-,48-,49+/m1/s1
InChIKeyIJEZFJFCQWYKEM-GDVDIDQFSA-N
Species of MetaboliteComponentSourceComments
Brassica napus (ncbitaxon:3708)
- MetaboLights (MTBLS312)
- PubMed (27500669)
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,12Z,15Z-octadecatrienoyl)-2-hexadecanoyl-3-[α-D-galactosyl-(1→6)-β-D-galactosyl]-sn-glycerol (CHEBI:136797) has functional parent hexadecanoic acid (CHEBI:15756)
1-(9Z,12Z,15Z-octadecatrienoyl)-2-hexadecanoyl-3-[α-D-galactosyl-(1→6)-β-D-galactosyl]-sn-glycerol (CHEBI:136797) has functional parent α-linolenic acid (CHEBI:27432)
1-(9Z,12Z,15Z-octadecatrienoyl)-2-hexadecanoyl-3-[α-D-galactosyl-(1→6)-β-D-galactosyl]-sn-glycerol (CHEBI:136797) has role Brassica napus metabolite (CHEBI:140165)
1-(9Z,12Z,15Z-octadecatrienoyl)-2-hexadecanoyl-3-[α-D-galactosyl-(1→6)-β-D-galactosyl]-sn-glycerol (CHEBI:136797) is a 3-[α-D-galactosyl-(1→6)-β-D-galactosyl]-1,2-diacyl-sn-glycerol (CHEBI:28396)
IUPAC Name 
(2S)-3-[(6-O-α-D-galactopyranosyl-β-D-galactopyranosyl)oxy]-2-(hexadecanoyloxy)propyl (9Z,12Z,15Z)-octadeca-9,12,15-trienoate
Synonyms  Source
18:3-16:0-DGDGMetaCyc
1-18:3-2-16:0-digalactosyldiacylglycerolMetaCyc
1-α-linolenoyl-2-palmitoyl-3-[α-D-galactosyl-(1→6)-β-D-galactosyl]-sn-glycerolChEBI
digalactosyldiacylglycerol 18:3(9Z,12Z,15Z)/16:0ChEBI
DGDG(18:3(9Z,12Z,15Z)/16:0)ChEBI
Manual XrefsDatabases
CPD-8162MetaCyc
Registry NumbersSources
Reaxys:6679812Reaxys