CHEBI:34042 - 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol
ChEBI ID CHEBI:34042
Stars This entity has been manually annotated by a third party.
Supplier Information ChemicalBook:CB6214708, eMolecules:509332, Selleckchem:Ellagic-acid, ZINC000003872446
Download Molfile XML SDF
Formula C45H74O10
Net Charge 0
Average Mass 775.065
Monoisotopic Mass 774.52820
InChI InChI=1S/C45H74O10/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/h5-8,11-14,17-20,38-39,42-46,49-51H,3-4,9-10,15-16,21-37H2,1-2H3/b7-5-,8-6-,13-11-,14-12-,19-17-,20-18-/t38?,39-,42+,43+,44-,45-/m1/s1
InChIKey QUZHZFAQJATMCA-VLTMIGNISA-N
SMILES CC\C=C/C\C=C/C\C=C/CCCCCCCC(=O)OCC(CO[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)OC(=O)CCCCCCC\C=C/C\C=C/C\C=C/CC
ChEBI Ontology
Outgoing 1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol (CHEBI:34042) is a glycosylglycerol derivative (CHEBI:63427)
Synonym Source
1,2-Di-(9Z,12Z,15Z-octadecatrienoyl)-3-O-beta-D-galactosyl-sn-glycerol KEGG COMPOUND
Manual Xref Database
C13871 KEGG COMPOUND
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Last Modified
28 July 2014