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CHEBI:61652 - cholesteryl 6-O-acetyl-β-D-galactoside

ChEBI IDCHEBI:61652
ChEBI Namecholesteryl 6-O-acetyl-β-D-galactoside
Stars
ASCII Namecholesteryl 6-O-acetyl-beta-D-galactoside
DefinitionA cholesteryl 6-O-acyl-β-D-galactoside having acetyl as the 6-O-acyl group.
Last Modified16 March 2011
Submitterzjosephs
DownloadsMolfile
FormulaC35H58O7
Net Charge0
Average Mass590.842
Monoisotopic Mass590.41825
SMILES[H][C@@]12CC=C3C[C@@H](O[C@@H]4O[C@H](COC(C)=O)[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/C35H58O7/c1-20(2)8-7-9-21(3)26-12-13-27-25-11-10-23-18-24(14-16-34(23,5)28(25)15-17-35(26,27)6)41-33-32(39)31(38)30(37)29(42-33)19-40-22(4)36/h10,20-21,24-33,37-39H,7-9,11-19H2,1-6H3/t21-,24+,25+,26-,27+,28+,29-,30+,31+,32-,33-,34+,35-/m1/s1
InChIKeyTWWWODYKUHGRNS-YHMWFAQISA-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-acetyl-β-D-galactoside (CHEBI:61652) is a cholesteryl 6-O-acyl-β-D-galactoside (CHEBI:61629)
IUPAC Name 
cholest-5-en-3β-yl 6-O-acetyl-β-D-galactopyranoside
Synonyms  Source
cholest-5-en-3β-yl 6-O-acetyl-β-D-galactosideChEBI
cholesteryl 6-O-acetyl-β-D-galactopyranosideChEBI
cholest-5-en-3β-yl 6-O-ethanoyl-β-D-galactopyranosideChEBI
ACGal C2ChEBI
Registry NumbersSources
Reaxys:20379963Reaxys
Citations