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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-(9Z,12Z,15Z-octadecatrienoyl)-2-hexadecanoyl-3-[α-D-galactosyl-(1→6)-β-D-galactosyl]-sn-glycerol
ChEBI ID CHEBI:136797
ChEBI ASCII Name 1-(9Z,12Z,15Z-octadecatrienoyl)-2-hexadecanoyl-3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-sn-glycerol
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
Download Molfile XML SDF
Formula C49H86O15
Net Charge 0
Average Mass 915.200
Monoisotopic Mass 914.59667
InChI InChI=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
InChIKey IJEZFJFCQWYKEM-GDVDIDQFSA-N
SMILES C(O[C@@H]1O[C@@H]([C@@H]([C@@H]([C@H]1O)O)O)CO[C@H]2O[C@@H]([C@@H]([C@@H]([C@H]2O)O)O)CO)[C@@H](COC(CCCCCCC/C=C\C/C=C\C/C=C\CC)=O)OC(CCCCCCCCCCCCCCC)=O
Metabolite of Species Details
Brassica napus (NCBI:txid3708) See: MetaboLights Study
Brassica napus (NCBI:txid3708) See: PubMed
Roles Classification
Biological Role(s): Brassica napus metabolite
Any plant metabolite that is produced by rapeseed (Brassica napus).
(via 1-(9Z,12Z,15Z-octadecatrienoyl)-2-hexadecanoyl-3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-sn-glycerol )
mouse metabolite
Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
(via 3-[alpha-D-galactosyl-(1->6)-beta-D-galactosyl]-1,2-diacyl-sn-glycerol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 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 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 Sources
1-18:3-2-16:0-digalactosyldiacylglycerol MetaCyc
1-α-linolenoyl-2-palmitoyl-3-[α-D-galactosyl-(1→6)-β-D-galactosyl]-sn-glycerol ChEBI
18:3-16:0-DGDG MetaCyc
DGDG(18:3(9Z,12Z,15Z)/16:0) ChEBI
digalactosyldiacylglycerol 18:3(9Z,12Z,15Z)/16:0 ChEBI
Manual Xref Database
CPD-8162 MetaCyc
View more database links
Registry Number Type Source
6679812 Reaxys Registry Number Reaxys
Last Modified
16 March 2018