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CHEBI:90506 - 1,2-di-(9Z,12Z-octadecadienoyl)-3-(β-D-galactosyl)-sn-glycerol

ChEBI IDCHEBI:90506
ChEBI Name1,2-di-(9Z,12Z-octadecadienoyl)-3-(β-D-galactosyl)-sn-glycerol
Stars
ASCII Name1,2-di-(9Z,12Z-octadecadienoyl)-3-(beta-D-galactosyl)-sn-glycerol
DefinitionA 1,2-diacyl-3-β-D-galactosyl-sn-glycerol in which the groups at the 1- and 2-positions are both linoleoyl (9Z,12Z-octadecadienoyl).
Last Modified11 April 2017
Submitternhn
DownloadsMolfile
FormulaC45H78O10
Net Charge0
Average Mass779.109
Monoisotopic Mass778.55950
SMILESCCCCC/C=C\C/C=C\CCCCCCCC(=O)OC[C@H](CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC
InChIInChI=1S/C45H78O10/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/h11-14,17-20,38-39,42-46,49-51H,3-10,15-16,21-37H2,1-2H3/b13-11-,14-12-,19-17-,20-18-/t38-,39-,42+,43+,44-,45-/m1/s1
InChIKeyBROOMPUVDPTGEG-RHNBIRJRSA-N
Roles Classification
Biological Role:
mouse metabolite  Any mammalian metabolite produced during a metabolic reaction in a mouse (Mus musculus).
ChEBI Ontology
Outgoing Relation(s)
1,2-di-(9Z,12Z-octadecadienoyl)-3-(β-D-galactosyl)-sn-glycerol (CHEBI:90506) is a 1,2-diacyl-3-β-D-galactosyl-sn-glycerol (CHEBI:17615)
IUPAC Name 
(2S)-3-(β-D-galactopyranosyloxy)propane-1,2-diyl (9Z,12Z,9'Z,12'Z)di-octadeca-9,12-dienoate
Synonyms  Source
1,2-dilinoleoyl-3-(β-D-galactosyl)-sn-glycerolSUBMITTER
1,2-(9Z,12Z-octadecadienoyl)-3-O-beta-D-galactosyl-sn-glycerolMetaCyc
18:2-18:2-MGDGMetaCyc
1-18:2-2-18:2-monogalactosyldiacylglycerolMetaCyc
UniProt Name  Source
1,2-di-(9Z,12Z-octadecadienoyl)-3-β-D-galactosyl-sn-glycerolUniProt
Manual XrefsDatabases
CPD-8165MetaCyc
Registry NumbersSources
Reaxys:7404040Reaxys
Citations