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CHEBI:61647 - cholesteryl 6-O-palmitoyl-β-D-galactoside

ChEBI IDCHEBI:61647
ChEBI Namecholesteryl 6-O-palmitoyl-β-D-galactoside
Stars
ASCII Namecholesteryl 6-O-palmitoyl-beta-D-galactoside
DefinitionA cholesteryl 6-O-acyl-β-D-galactoside having palmitoyl (hexadecanoyl) as the 6-O-acyl group.
Last Modified11 May 2016
Submitterzjosephs
DownloadsMolfile
FormulaC49H86O7
Net Charge0
Average Mass787.220
Monoisotopic Mass786.63736
SMILES[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](COC(=O)CCCCCCCCCCCCCCC)[C@H](O)[C@H](O)[C@H]4O)CC[C@]3(C)[C@@]1([H])CC[C@@]1(C)[C@@]2([H])CC[C@]1([H])[C@H](C)CCCC(C)C
InChIInChI=1S/C49H86O7/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-23-43(50)54-33-42-44(51)45(52)46(53)47(56-42)55-37-28-30-48(5)36(32-37)24-25-38-40-27-26-39(35(4)22-20-21-34(2)3)49(40,6)31-29-41(38)48/h24,34-35,37-42,44-47,51-53H,7-23,25-33H2,1-6H3/t35-,37+,38+,39-,40+,41+,42-,44+,45+,46-,47-,48+,49-/m1/s1
InChIKeyYPMUZVRAVKLKGC-HJFSTSJRSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
cholesteryl 6-O-palmitoyl-β-D-galactoside (CHEBI:61647) is a cholesteryl 6-O-acyl-β-D-galactoside (CHEBI:61629)
IUPAC Name 
cholest-5-en-3β-yl 6-O-hexadecanoyl-β-D-galactopyranoside
Synonyms  Source
cholesteryl 6-O-hexadecanoyl-β-D-galactopyranosideChEBI
cholest-5-en-3β-yl 6-O-palmitoyl-β-D-galactopyranosideChEBI
cholesteryl 6-O-palmitoyl-β-D-galactopyranosideChEBI
ACGal C16ChEBI
cholest-5-en-3β-yl 6-O-hexadecanoyl-β-D-galactosideChEBI
ACGalChEBI
Registry NumbersSources
Reaxys:10143687Reaxys
Citations